TDR Targets

Basic information

Technical information

TDR Targets ID: 1282957
Name: 2-[4-(4-methylpiperidine-1-carbonyl)phenyl]is oindole-1,3-dione
MW: 348.395 | Formula: C21H20N2O3
H donors: 0 H acceptors: 3 LogP: 3.2 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: CC1CCN(CC1)C(=O)c1ccc(cc1)N1C(=O)c2c(C1=O)cccc2
InChi: 1S/C21H20N2O3/c1-14-10-12-22(13-11-14)19(24)15-6-8-16(9-7-15)23-20(25)17-4-2-3-5-18(17)21(23)26/h2-9,14H,10-13H2,1H3
InChiKey: ZATOVBKWHSTYFD-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-[4-(4-methylpiperidine-1-carbonyl)phenyl]isoindoline-1,3-dione
2-[4-[(4-methyl-1-piperidinyl)-oxomethyl]phenyl]isoindoline-1,3-dione
2-[4-(4-methylpiperidine-1-carbonyl)phenyl]isoindoline-1,3-quinone
2-[4-(4-methylpiperidin-1-yl)carbonylphenyl]isoindole-1,3-dione
2-[4-(4-Methyl-piperidine-1-carbonyl)-phenyl]-isoindole-1,3-dione
BAS 00448137
BIM-0027139.P001
Oprea1_577519
Oprea1_840196
A1260/0057624
CBMicro_027144
MLS001211469
SMR000514137
ZINC00062901

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	muscleblind-like splicing regulator 1	Starlite/ChEMBL	No references
Homo sapiens	TAR DNA binding protein	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus multilocularis	muscleblind protein 1	Get druggable targets OG5_132352	All targets in OG5_132352
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132352	All targets in OG5_132352
Echinococcus granulosus	muscleblind protein	Get druggable targets OG5_132352	All targets in OG5_132352
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus granulosus	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	Muscleblind-like protein	Get druggable targets OG5_132352	All targets in OG5_132352
Loa Loa (eye worm)	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132352	All targets in OG5_132352
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus multilocularis	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	RNA recognition motif domain containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus multilocularis	muscleblind protein	Get druggable targets OG5_132352	All targets in OG5_132352
Brugia malayi	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461

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
Echinococcus multilocularis	tar DNA binding protein	0.0076	0.0314	0.155
Leishmania major	cytochrome p450-like protein	0.0229	0.2826	1
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0125	0.1104	0.1104
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0314	0.2594
Echinococcus granulosus	acetylcholine receptor subunit beta 1	0.0125	0.1104	0.5456
Loa Loa (eye worm)	hypothetical protein	0.0125	0.1104	0.1104
Onchocerca volvulus		0.0067	0.0159	0.1438
Brugia malayi	acetylcholine receptor protein, alpha-like chain, putative	0.0125	0.1104	0.1104
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0125	0.1104	0.1104
Trypanosoma cruzi	cytochrome P450, putative	0.0229	0.2826	1
Echinococcus multilocularis	muscleblind protein	0.018	0.2023	1
Mycobacterium tuberculosis	Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO)	0.0306	0.4096	1
Echinococcus multilocularis	glycine receptor subunit beta	0.0125	0.1104	0.5456
Loa Loa (eye worm)	hypothetical protein	0.0067	0.0159	0.0159
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0125	0.1104	0.9133
Loa Loa (eye worm)	hypothetical protein	0.0125	0.1104	0.1104
Onchocerca volvulus		0.0067	0.0159	0.1438
Onchocerca volvulus		0.0125	0.1104	1
Loa Loa (eye worm)	hypothetical protein	0.0608	0.9055	0.9055
Schistosoma mansoni	neurotransmitter gated ion channel	0.0067	0.0159	0.1313
Loa Loa (eye worm)	cytochrome P450 family protein	0.0229	0.2826	0.2826
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0314	0.2594
Echinococcus granulosus	nAChR subunit	0.0125	0.1104	0.5456
Echinococcus granulosus	muscleblind protein	0.018	0.2023	1
Loa Loa (eye worm)	hypothetical protein	0.012	0.1032	0.1032
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0125	0.1104	0.1104
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0125	0.1104	0.5456
Brugia malayi	Cytochrome P450 family protein	0.0229	0.2826	0.2826
Loa Loa (eye worm)	hypothetical protein	0.0125	0.1104	0.1104
Loa Loa (eye worm)	ACC-1 protein	0.0125	0.1104	0.1104
Onchocerca volvulus		0.0125	0.1104	1
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0131	0.1209	0.5974
Schistosoma mansoni	lipoxygenase	0.0131	0.1209	1
Entamoeba histolytica	hypothetical protein	0.0067	0.0159	0.5
Loa Loa (eye worm)	acetylcholine receptor alpha subunit	0.0125	0.1104	0.1104
Echinococcus granulosus	nicotinic acetylcholine receptor a11 subunit	0.0125	0.1104	0.5456
Echinococcus granulosus	nAChR subunit	0.0067	0.0159	0.0784
Echinococcus multilocularis	glycine receptor subunit beta	0.0125	0.1104	0.5456
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0125	0.1104	0.5456
Loa Loa (eye worm)	GABA receptor subunit	0.0067	0.0159	0.0159
Brugia malayi	cytochrome P450	0.0109	0.0848	0.0848
Loa Loa (eye worm)	hypothetical protein	0.0067	0.0159	0.0159
Loa Loa (eye worm)	hypothetical protein	0.0125	0.1104	0.1104
Schistosoma mansoni	nAChR subunit (ShAR1-beta2-like)	0.0125	0.1104	0.9133
Loa Loa (eye worm)	CYP4Cod1	0.0229	0.2826	0.2826
Brugia malayi	RNA binding protein	0.0076	0.0314	0.0314
Loa Loa (eye worm)	hypothetical protein	0.0125	0.1104	0.1104
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0125	0.1104	0.1104
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0125	0.1104	0.1104
Loa Loa (eye worm)	hypothetical protein	0.0125	0.1104	0.1104
Loa Loa (eye worm)	excitatory GABA receptor EXP-1A	0.0125	0.1104	0.1104
Brugia malayi	Cation transporter family protein	0.0125	0.1104	0.1104
Echinococcus multilocularis	nicotinic acetylcholine receptor beta 1 subunit	0.0125	0.1104	0.5456
Schistosoma mansoni	nAChR subunit	0.0125	0.1104	0.9133
Schistosoma mansoni	nAChR subunit (ShAR1-alpha-like)	0.0125	0.1104	0.9133
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0229	0.2826	0.5448
Brugia malayi	Cytochrome P450 family protein	0.0393	0.5517	0.5517
Loa Loa (eye worm)	nicotinic acetylcholine receptor non-alpha subunit	0.0125	0.1104	0.1104
Echinococcus granulosus	glycine receptor subunit beta	0.0125	0.1104	0.5456
Schistosoma mansoni	nAChR subunit	0.0125	0.1104	0.9133
Schistosoma mansoni	nAChR subunit	0.0125	0.1104	0.9133
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0125	0.1104	0.5456
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0314	0.2594
Brugia malayi	Cytochrome P450 family protein	0.0109	0.0848	0.0848
Onchocerca volvulus		0.0125	0.1104	1
Echinococcus multilocularis	nAChR subunit	0.0125	0.1104	0.5456
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0125	0.1104	0.1104
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0125	0.1104	0.1104
Loa Loa (eye worm)	hypothetical protein	0.0067	0.0159	0.0159
Onchocerca volvulus		0.0125	0.1104	1
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0125	0.1104	0.5456
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0314	0.2594
Brugia malayi	TAR-binding protein	0.0076	0.0314	0.0314
Echinococcus granulosus	nicotinic acetylcholine receptor subunit type	0.0125	0.1104	0.5456
Mycobacterium leprae	Conserved hypothetical protein	0.0109	0.0848	0.5
Schistosoma mansoni	nAChR subunit (ShAR1-beta-like)	0.0125	0.1104	0.9133
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0125	0.1104	0.5456
Brugia malayi	Cation transporter family protein	0.0125	0.1104	0.1104
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0067	0.0159	0.0159
Schistosoma mansoni	nAChR subunit	0.0125	0.1104	0.9133
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0125	0.1104	0.9133
Schistosoma mansoni	nAChR subunit	0.0125	0.1104	0.9133
Loa Loa (eye worm)	hypothetical protein	0.0125	0.1104	0.1104
Loa Loa (eye worm)	hypothetical protein	0.0067	0.0159	0.0159
Echinococcus multilocularis	nAChR subunit	0.0067	0.0159	0.0784
Loa Loa (eye worm)	LGC-31 protein	0.0125	0.1104	0.1104
Brugia malayi	Cytochrome P450 family protein	0.0229	0.2826	0.2826
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0067	0.0159	0.0159
Echinococcus granulosus	neuronal acetylcholine receptor subunit alpha 4	0.0125	0.1104	0.5456
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0125	0.1104	0.5456
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0131	0.1209	0.5974
Loa Loa (eye worm)	hypothetical protein	0.0067	0.0159	0.0159
Loa Loa (eye worm)	hypothetical protein	0.018	0.2023	0.2023
Echinococcus multilocularis	nicotinic acetylcholine receptor a11 subunit	0.0125	0.1104	0.5456
Echinococcus multilocularis	nicotinic acetylcholine receptor alpha subunit	0.0125	0.1104	0.5456
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.033	0.4478	1
Loa Loa (eye worm)	hypothetical protein	0.0125	0.1104	0.1104
Brugia malayi	nicotinic acetylcholine receptor alpha subunit, putative	0.0125	0.1104	0.1104
Loa Loa (eye worm)	RNA binding protein	0.0076	0.0314	0.0314
Trypanosoma cruzi	cytochrome P450, putative	0.0229	0.2826	1
Loa Loa (eye worm)	hypothetical protein	0.0067	0.0159	0.0159
Trypanosoma brucei	cytochrome P450, putative	0.0229	0.2826	1
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0067	0.0159	0.0159
Loa Loa (eye worm)	hypothetical protein	0.0125	0.1104	0.1104
Loa Loa (eye worm)	hypothetical protein	0.0125	0.1104	0.1104
Schistosoma mansoni	hypothetical protein	0.0109	0.0848	0.7015
Loa Loa (eye worm)	cytochrome P450 family protein	0.0393	0.5517	0.5517
Loa Loa (eye worm)	nicotinic acetylcholine receptor alpha subunit	0.0125	0.1104	0.1104
Schistosoma mansoni	nicotinic acetylcholine receptor alpha	0.0067	0.0159	0.1313
Brugia malayi	Cation transporter family protein	0.0125	0.1104	0.1104
Schistosoma mansoni	nAChR subunit	0.0125	0.1104	0.9133
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit alpha 8	0.0125	0.1104	0.5456
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0125	0.1104	0.1104
Brugia malayi	acetylcholine receptor, alpha-type subunit unc-38 precursor	0.0125	0.1104	0.1104
Brugia malayi	Muscleblind-like protein	0.018	0.2023	0.2023
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.033	0.4478	1
Loa Loa (eye worm)	hypothetical protein	0.0125	0.1104	0.1104
Echinococcus granulosus	cytochrome P450 2K1	0.0109	0.0848	0.4191
Loa Loa (eye worm)	hypothetical protein	0.0125	0.1104	0.1104
Loa Loa (eye worm)	ligand-Gated ion Channel family member	0.0125	0.1104	0.1104
Loa Loa (eye worm)	hypothetical protein	0.0067	0.0159	0.0159
Loa Loa (eye worm)	cytochrome P450 family protein	0.0229	0.2826	0.2826
Echinococcus multilocularis		0.0109	0.0848	0.4191
Toxoplasma gondii	cytochrome p450 superfamily protein	0.0109	0.0848	0.5
Schistosoma mansoni	cytochrome P450	0.0109	0.0848	0.7015
Loa Loa (eye worm)	hypothetical protein	0.0067	0.0159	0.0159
Loa Loa (eye worm)	hypothetical protein	0.0125	0.1104	0.1104
Echinococcus multilocularis	neuronal acetylcholine receptor subunit alpha 4	0.0125	0.1104	0.5456
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0125	0.1104	0.1104
Schistosoma mansoni	nAChR subunit	0.0125	0.1104	0.9133
Loa Loa (eye worm)	cytochrome P450	0.0109	0.0848	0.0848
Onchocerca volvulus		0.0125	0.1104	1
Brugia malayi	nicotinic acetylcholine receptor beta-1 chain precursor	0.0125	0.1104	0.1104
Brugia malayi	glutamate-gated chloride channel alpha3A subunit, putative	0.0067	0.0159	0.0159
Brugia malayi	acetylcholine receptor alpha subunit precursor, putative	0.0125	0.1104	0.1104
Onchocerca volvulus		0.0125	0.1104	1
Loa Loa (eye worm)	hypothetical protein	0.0125	0.1104	0.1104
Echinococcus multilocularis	acetylcholine receptor subunit beta 1	0.0125	0.1104	0.5456
Brugia malayi	RNA recognition motif domain containing protein	0.0076	0.0314	0.0314
Loa Loa (eye worm)	TAR-binding protein	0.0076	0.0314	0.0314
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0076	0.0314	0.0314
Loa Loa (eye worm)	hypothetical protein	0.0125	0.1104	0.1104
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0125	0.1104	0.1104
Loa Loa (eye worm)	hypothetical protein	0.0125	0.1104	0.1104
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0125	0.1104	0.9133
Echinococcus granulosus	nicotinic acetylcholine receptor subunit alpha 8	0.0125	0.1104	0.5456
Echinococcus granulosus	nicotinic acetylcholine receptor alpha subunit	0.0125	0.1104	0.5456
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0125	0.1104	0.1104
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0314	0.2594
Echinococcus granulosus	glycine receptor subunit beta	0.0125	0.1104	0.5456
Echinococcus granulosus	tar DNA binding protein	0.0076	0.0314	0.155
Loa Loa (eye worm)	ACC-1 protein	0.0125	0.1104	0.1104
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0125	0.1104	0.5456
Onchocerca volvulus	Putative nachr subunit	0.0125	0.1104	1
Echinococcus multilocularis	muscleblind protein 1	0.018	0.2023	1
Loa Loa (eye worm)	hypothetical protein	0.0665	1	1
Mycobacterium leprae	putative cytochrome p450	0.0109	0.0848	0.5
Brugia malayi	excitatory GABA receptor EXP-1A	0.0125	0.1104	0.1104
Loa Loa (eye worm)	hypothetical protein	0.018	0.2023	0.2023
Loa Loa (eye worm)	hypothetical protein	0.0125	0.1104	0.1104
Schistosoma mansoni	lipoxygenase	0.0092	0.0561	0.4638
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0067	0.0159	0.1313
Loa Loa (eye worm)	hypothetical protein	0.0125	0.1104	0.1104
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0125	0.1104	0.5456
Echinococcus granulosus	nicotinic acetylcholine receptor beta 1 subunit	0.0125	0.1104	0.5456

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (binding)	10 uM	PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	11.2202 uM	PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	70.7946 uM	PUBCHEM_BIOASSAY: qHTS assay for re-activators of p53 using a Luc reporter. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504709]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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: CHEMBL1392269

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 1282957