TDR Targets

Basic information

Technical information

TDR Targets ID: 1436593
Name: 2,6-bis(furan-2-yl)-3-methylpiperidin-4-one h ydrochloride
MW: 281.735 | Formula: C14H16ClNO3
H donors: 1 H acceptors: 1 LogP: 1.88 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: O=C1CC(NC(C1C)c1ccco1)c1ccco1.Cl
InChi: 1S/C14H15NO3.ClH/c1-9-11(16)8-10(12-4-2-6-17-12)15-14(9)13-5-3-7-18-13;/h2-7,9-10,14-15H,8H2,1H3;1H
InChiKey: MGBUUXVQJLMWSU-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

2,6-bis(2-furyl)-3-methyl-piperidin-4-one hydrochloride
2,6-bis(2-furyl)-3-methyl-4-piperidinone hydrochloride
2,6-bis(2-furyl)-3-methyl-4-piperidone hydrochloride
2,6-bis(furan-2-yl)-3-methyl-piperidin-4-one hydrochloride
2,6-Di-furan-2-yl-3-methyl-piperidin-4-one
BIM-0020521.P001
SMR000117767
MLS000527293

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	euchromatic histone-lysine N-methyltransferase 2	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Brugia malayi	Pre-SET motif family protein	Get druggable targets OG5_131470	All targets in OG5_131470
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	Get druggable targets OG5_131470	All targets in OG5_131470
Trichomonas vaginalis	set domain proteins, putative	Get druggable targets OG5_131470	All targets in OG5_131470
Onchocerca volvulus		Get druggable targets OG5_131470	All targets in OG5_131470

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	glutathione synthetase	0.0433	0.267	0.267
Echinococcus multilocularis	geranylgeranyl pyrophosphate synthase	0.059	0.3682	0.3682
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0036	0.01	0.0087
Brugia malayi	Pre-SET motif family protein	0.0036	0.01	0.0039
Plasmodium falciparum	geranylgeranyl pyrophosphate synthase, putative	0.1567	1	1
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0036	0.01	0.01
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.01	0.0087
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0036	0.01	0.0087
Loa Loa (eye worm)	phosphatidylinositol 3	0.0036	0.01	0.0095
Brugia malayi	beta-lactamase family protein	0.0043	0.0148	0.0087
Echinococcus multilocularis	decaprenyl diphosphate synthase subunit 1	0.0433	0.267	0.267
Brugia malayi	geranylgeranyl pyrophosphate synthetase	0.059	0.3682	0.3643
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.01	0.0087
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0036	0.01	0.01
Entamoeba histolytica	geranylgeranyl pyrophosphate synthase, putative	0.0433	0.267	1
Chlamydia trachomatis	geranylgeranyl pyrophosphate synthase	0.0433	0.267	0.5
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0036	0.01	0.01
Leishmania major	hypothetical protein, conserved	0.0043	0.0148	0.0049
Brugia malayi	Pre-SET motif family protein	0.0251	0.1492	0.144
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0233	0.0228
Brugia malayi	Bromodomain containing protein	0.0091	0.0453	0.0394
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.01	0.0087
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.01	0.0087
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.01	0.0087
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0013	0.0008
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0036	0.01	0.01
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.01	0.0087
Brugia malayi	beta-lactamase	0.0043	0.0148	0.0087
Plasmodium vivax	octaprenyl pyrophosphate synthase, putative	0.0433	0.267	0.2596
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0036	0.01	0.0087
Trypanosoma cruzi	polyprenyl synthase, putative	0.059	0.3682	0.3619
Toxoplasma gondii	ABC1 family protein	0.0043	0.0148	0.0135
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0057	0.0233	0.0233
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0148	0.0143
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0057	0.0233	0.0233
Schistosoma mansoni	farnesyl pyrophosphate synthase	0.1567	1	1
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0036	0.01	0.01
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.01	0.0087
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0072	0.0333	0.0333
Echinococcus granulosus	zinc finger protein	0.0024	0.002	0.002
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0043	0.0147	0.0147
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0043	0.0148	0.0143
Wolbachia endosymbiont of Brugia malayi	geranylgeranyl pyrophosphate synthase	0.0433	0.267	0.5
Toxoplasma gondii	polyprenyl synthetase superfamily protein	0.1567	1	1
Schistosoma mansoni	zinc finger protein	0.0024	0.002	0.002
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0027	0.0043	0.0043
Mycobacterium ulcerans	polyprenyl synthetase IdsB	0.0433	0.267	0.256
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0036	0.01	0.0087
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0036	0.01	0.0087
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0036	0.01	0.01
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.01	0.0087
Echinococcus granulosus	DNA dependent protein kinase catalytic subunit	0.0517	0.3208	0.3208
Leishmania major	hypothetical protein, conserved	0.0188	0.108	0.0991
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0148	0.0135
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0148	0.0143
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.01	0.0087
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0278	0.1663	0.1538
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0043	0.0147	0.0147
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.0148	0.0049
Echinococcus granulosus	farnesyl pyrophosphate synthase	0.1567	1	1
Mycobacterium tuberculosis	Probable geranylgeranyl pyrophosphate synthetase IdsA2 (ggppsase) (GGPP synthetase) (geranylgeranyl diphosphate synthase)	0.1567	1	1
Echinococcus granulosus	decaprenyl diphosphate synthase subunit 1	0.0433	0.267	0.267
Mycobacterium leprae	PROBABLE POLYPRENYL-DIPHOSPHATE SYNTHASE GRCC1 (POLYPRENYL PYROPHOSPHATE SYNTHETASE)	0.0433	0.267	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0036	0.01	0.0038
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.01	0.0087
Trichomonas vaginalis	geranylgeranyl pyrophosphate synthase, putative	0.1567	1	1
Entamoeba histolytica	bifunctional short chain isoprenyl diphosphate synthase, putative	0.0433	0.267	1
Mycobacterium ulcerans	polyprenyl diphosphate synthetase, GrcC1	0.0433	0.267	0.256
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0035	0.0091	0.0091
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.01	0.0087
Echinococcus multilocularis	zinc finger protein	0.0024	0.002	0.002
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0043	0.0148	0.0087
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0148	0.0143
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0036	0.01	0.0087
Trypanosoma cruzi	solanesyl-diphosphate synthase, putative	0.0433	0.267	0.2596
Brugia malayi	Polyprenyl synthetase family protein	0.0433	0.267	0.2625
Onchocerca volvulus		0.0043	0.0148	0.0297
Trypanosoma cruzi	farnesyl pyrophosphate synthase, putative	0.1567	1	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0057	0.0233	0.0233
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.01	0.0087
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.01	0.0087
Trichomonas vaginalis	geranylgeranyl pyrophosphate synthase, putative	0.1567	1	1
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	0.0517	0.3208	0.3208
Mycobacterium ulcerans	geranylgeranyl pyrophosphate synthase	0.1567	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.01	0.0087
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0148	0.0148
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0185	0.018
Echinococcus granulosus	geranylgeranyl pyrophosphate synthase	0.059	0.3682	0.3682
Trypanosoma cruzi	polyprenyl synthase, putative	0.059	0.3682	0.3619
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.01	0.0087
Onchocerca volvulus		0.0286	0.1717	1
Mycobacterium tuberculosis	Possible polyprenyl synthetase IdsB (polyprenyl transferase) (polyprenyl diphosphate synthase)	0.0433	0.267	0.256
Onchocerca volvulus		0.0043	0.0148	0.0297
Loa Loa (eye worm)	beta-lactamase	0.0043	0.0148	0.0143
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.01	0.0087
Echinococcus granulosus	prenyl decaprenyl diphosphate synthase	0.0433	0.267	0.267
Trichomonas vaginalis	penicillin-binding protein, putative	0.0043	0.0148	0.0135
Trichomonas vaginalis	penicillin-binding protein, putative	0.0043	0.0148	0.0135
Loa Loa (eye worm)	polyprenyl synthetase	0.0433	0.267	0.2666
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.01	0.0087
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.01	0.0087
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0148	0.0143
Trypanosoma cruzi	hypothetical protein, conserved	0.0181	0.1035	0.0945
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0036	0.01	0.0087
Echinococcus granulosus	fetal alzheimer antigen falz	0.0027	0.0043	0.0043
Brugia malayi	Bromodomain containing protein	0.0046	0.0166	0.0105
Plasmodium vivax	hypothetical protein, conserved	0.0043	0.0148	0.0049
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.01	0.0087
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.01	0.0087
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0148	0.0148
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0036	0.01	0.01
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.01	0.0087
Leishmania major	solanesyl-diphosphate synthase, putative	0.0433	0.267	0.2596
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0036	0.01	0.0038
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.01	0.0087
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0036	0.01	0.01
Entamoeba histolytica	geranylgeranyl pyrophosphate synthetase, putative	0.0433	0.267	1
Onchocerca volvulus		0.0043	0.0148	0.0297
Leishmania major	farnesyl pyrophosphate synthase	0.1567	1	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0148	0.0143
Trypanosoma brucei	farnesyl pyrophosphate synthase	0.1567	1	1
Loa Loa (eye worm)	polyprenyl synthetase	0.1567	1	1
Trypanosoma cruzi	solanesyl-diphosphate synthase, putative	0.0433	0.267	0.2596
Mycobacterium tuberculosis	Probable polyprenyl-diphosphate synthase GrcC2 (polyprenyl pyrophosphate synthetase)	0.0433	0.267	0.256
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0419	0.0415
Trypanosoma brucei	hypothetical protein, conserved	0.0043	0.0148	0.0135
Wolbachia endosymbiont of Brugia malayi	geranylgeranyl pyrophosphate synthase	0.0433	0.267	0.5
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0072	0.0333	0.0333
Brugia malayi	beta-lactamase family protein	0.0043	0.0148	0.0087
Trichomonas vaginalis	esterase, putative	0.0043	0.0148	0.0135
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0166	0.0162
Loa Loa (eye worm)	hypothetical protein	0.0052	0.02	0.0195
Plasmodium vivax	geranylgeranyl pyrophosphate synthase	0.1567	1	1
Echinococcus granulosus	histone lysine methyltransferase setb	0.0057	0.0233	0.0233
Schistosoma mansoni	trans-prenyltransferase	0.0433	0.267	0.267
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0251	0.1492	0.1488
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.01	0.0087
Trichomonas vaginalis	geranylgeranyl diphosphate synthase, putative	0.1567	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.01	0.0087
Echinococcus granulosus	beta LACTamase domain containing family member	0.0043	0.0148	0.0148
Schistosoma mansoni	geranylgeranyl pyrophosphate synthase	0.059	0.3682	0.3682
Loa Loa (eye worm)	phosphatidylinositol 3	0.0036	0.01	0.0095
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0148	0.0135
Echinococcus multilocularis	prenyl (decaprenyl) diphosphate synthase	0.0433	0.267	0.267
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0036	0.01	0.01
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.01	0.0087
Trypanosoma brucei	solanesyl-diphosphate synthase, putative	0.0433	0.267	0.266
Treponema pallidum	octaprenyl-diphosphate synthase	0.059	0.3682	0.5
Leishmania major	polyprenyl synthase, putative	0.059	0.3682	0.3619
Schistosoma mansoni	hypothetical protein	0.0025	0.0028	0.0028
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0148	0.0135
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0043	0.0148	0.0148
Echinococcus multilocularis	farnesyl pyrophosphate synthase	0.1567	1	1
Loa Loa (eye worm)	PHD-finger family protein	0.0025	0.0028	0.0023
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.01	0.0087
Giardia lamblia	Farnesyl diphosphate synthase	0.1567	1	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.0148	0.0049
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.01	0.0087
Toxoplasma gondii	polyprenyl synthetase superfamily protein	0.0433	0.267	0.266
Schistosoma mansoni	bromodomain containing protein	0.0076	0.0361	0.0361
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.01	0.0087
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0027	0.0043	0.0043
Trypanosoma cruzi	solanesyl-diphosphate synthase	0.0433	0.267	0.2596
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0148	0.0143
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.01	0.0087
Trichomonas vaginalis	set domain proteins, putative	0.0286	0.1717	0.1706
Trypanosoma cruzi	farnesyl pyrophosphate synthase	0.1567	1	1
Loa Loa (eye worm)	geranylgeranyl pyrophosphate synthetase	0.059	0.3682	0.3679
Mycobacterium ulcerans	geranylgeranyl pyrophosphate synthase	0.1567	1	1
Mycobacterium tuberculosis	Probable multifunctional geranylgeranyl pyrophosphate synthetase IdsA1 (GGPP synthetase) (ggppsase) (geranylgeranyl diphosphate	0.0433	0.267	0.256

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	3.1623 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404]	ChEMBL.	No reference
Potency (functional)	18.526 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	= 22.3872 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))]	ChEMBL.	No reference
Potency (functional)	23.1093 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125]	ChEMBL.	No reference
Potency (functional)	= 25.1189 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))]	ChEMBL.	No reference
Potency (functional)	= 35.4813 um	PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

ChEMBL: CHEMBL1603616

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1436593