TDR Targets

Basic information

Technical information

TDR Targets ID: 1414705
Name: (5E)-5-[(3-hydroxyphenyl)methylidene]-3-(phen ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-o ne
MW: 327.421 | Formula: C17H13NO2S2
H donors: 1 H acceptors: 2 LogP: 4.12 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Oc1cccc(c1)/C=C\1/SC(=S)N(C1=O)Cc1ccccc1
InChi: 1S/C17H13NO2S2/c19-14-8-4-7-13(9-14)10-15-16(20)18(17(21)22-15)11-12-5-2-1-3-6-12/h1-10,19H,11H2/b15-10+
InChiKey: FQAVMUGOZJXNBR-XNTDXEJSSA-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

(5E)-5-[(3-hydroxyphenyl)methylene]-3-(phenylmethyl)-2-thioxo-thiazolidin-4-one
(5E)-5-[(3-hydroxyphenyl)methylene]-3-(phenylmethyl)-2-thioxo-4-thiazolidinone
(5E)-3-(benzyl)-5-(3-hydroxybenzylidene)-2-thioxo-thiazolidin-4-one
3-Benzyl-5-(3-hydroxy-benzylidene)-2-thioxo-thiazolidin-4-one
BAS 00032373
ZINC05002559
MLS001210029
SMR000504791

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	tumor protein p53	Starlite/ChEMBL	No references
Homo sapiens	multiple endocrine neoplasia I		No references
Homo sapiens	lysine (K)-specific methyltransferase 2A	Starlite/ChEMBL	No references
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	tumor protein p63	Get druggable targets OG5_140038	All targets in OG5_140038
Toxoplasma gondii	histone lysine methyltransferase SET1	Get druggable targets OG5_130642	All targets in OG5_130642
Schistosoma mansoni	mixed-lineage leukemia protein mll	Get druggable targets OG5_130642	All targets in OG5_130642
Echinococcus multilocularis	dnaJ subfamily B	Get druggable targets OG5_133913	All targets in OG5_133913
Schistosoma japonicum	Menin, putative	Get druggable targets OG5_133913	All targets in OG5_133913
Neospora caninum	Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a	Get druggable targets OG5_130642	All targets in OG5_130642
Echinococcus granulosus	dnaJ subfamily B	Get druggable targets OG5_133913	All targets in OG5_133913
Schistosoma japonicum	ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative	Get druggable targets OG5_130642	All targets in OG5_130642
Schistosoma mansoni	hypothetical protein	Get druggable targets OG5_133913	All targets in OG5_133913
Echinococcus granulosus	tumor protein p63	Get druggable targets OG5_140038	All targets in OG5_140038

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	dnaJ subfamily B	0.0494	0.5156	0.5155
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0035	0.0257	0.0256
Echinococcus granulosus	roundabout 2	0.0012	0.0014	0.0013
Loa Loa (eye worm)	hypothetical protein	0.005	0.0416	0.0414
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0014	0.0013
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0288	0.0287
Echinococcus granulosus	tumor protein p63	0.0408	0.424	0.4239
Brugia malayi	Peroxidasin	0.0012	0.0014	0.0014
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0014	0.0013
Echinococcus multilocularis	Immunoglobulin	0.0038	0.0288	0.0287
Entamoeba histolytica	deoxyuridine 5-triphosphate nucleotidohydrolase, mitochondrial precursor, putative	0.0948	1	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.0529	0.0529
Echinococcus granulosus	tyrosine protein kinase otk	0.0012	0.0014	0.0013
Schistosoma mansoni	hypothetical protein	0.0041	0.0326	0.0312
Schistosoma mansoni	Neurotrimin precursor (hNT)	0.0038	0.0288	0.0275
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0038	0.0288	0.0288
Echinococcus granulosus	Immunoglobulin	0.0038	0.0288	0.0287
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0012	0.0014	0.0013
Schistosoma mansoni	hypothetical protein	0.0019	0.009	0.0076
Entamoeba histolytica	deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein	0.0948	1	1
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0012	0.0014	0.0013
Loa Loa (eye worm)	CAMK/MLCK protein kinase	0.0012	0.0014	0.0013
Entamoeba histolytica	hypothetical protein	0.0948	1	1
Chlamydia trachomatis	deoxyuridine 5'-triphosphate nucleotidohydrolase	0.0948	1	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0326	0.0325
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0012	0.0014	0.0014
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0012	0.0014	0.0014
Entamoeba histolytica	hypothetical protein	0.0619	0.6489	0.4682
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0012	0.0014	0.0014
Schistosoma mansoni	cellular tumor antigen P53	0.006	0.0524	0.0511
Schistosoma mansoni	cpg binding protein	0.0037	0.0278	0.0264
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.0529	0.0529
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0288	0.0287
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0019	0.009	0.0089
Brugia malayi	Immunoglobulin I-set domain containing protein	0.02	0.202	0.202
Echinococcus multilocularis	GPCR, family 2	0.0019	0.009	0.0089
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0288	0.0287
Echinococcus granulosus	neurotracting:lsamp:neurotrimin:obcam	0.0044	0.036	0.0358
Echinococcus multilocularis	neurotracting:lsamp:neurotrimin:obcam	0.0012	0.0014	0.0013
Echinococcus granulosus	contactin	0.0012	0.0014	0.0013
Echinococcus multilocularis	hemicentin 1	0.0012	0.0014	0.0013
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0012	0.0014	0.0014
Echinococcus multilocularis	hemicentin 1	0.0012	0.0014	0.0013
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0014	0.0013
Brugia malayi	Prion-like-	0.0012	0.0014	0.0014
Schistosoma mansoni	hypothetical protein	0.0019	0.009	0.0076
Brugia malayi	Latrophilin receptor protein 2	0.0019	0.009	0.009
Echinococcus granulosus	lachesin	0.0012	0.0014	0.0013
Schistosoma mansoni	deoxyuridine 5'-triphosphate nucleotidohydrolase	0.0948	1	1
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0012	0.0014	0.0013
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0019	0.009	0.0089
Echinococcus granulosus	hemicentin 1	0.0012	0.0014	0.0013
Echinococcus multilocularis	tyrosine protein kinase otk	0.0012	0.0014	0.0013
Mycobacterium ulcerans	deoxycytidine triphosphate deaminase	0.0329	0.3398	0.5
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0019	0.009	0.0089
Echinococcus granulosus	GPCR family 2	0.0019	0.009	0.0089
Schistosoma mansoni	defective proboscis extension response (dpr)-related	0.0038	0.0288	0.0275
Echinococcus granulosus	dnaJ subfamily B	0.0494	0.5156	0.5155
Schistosoma mansoni	hypothetical protein	0.0019	0.009	0.0076
Echinococcus multilocularis	peroxidasin	0.0012	0.0014	0.0013
Entamoeba histolytica	deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein	0.0948	1	1
Echinococcus granulosus	cpg binding protein	0.0037	0.0278	0.0277
Loa Loa (eye worm)	hypothetical protein	0.006	0.0524	0.0523
Echinococcus multilocularis	basement membrane specific heparan sulfate	0.0038	0.0288	0.0287
Trichomonas vaginalis	deoxyuridine 5'-triphosphate nucleotidohydrolase, putative	0.0948	1	0.5
Onchocerca volvulus	Tyrosine kinase homolog	0.0161	0.1603	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0014	0.0013
Echinococcus granulosus	peroxidasin	0.0012	0.0014	0.0013
Schistosoma mansoni	nephrin	0.0043	0.0344	0.033
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0014	0.0013
Loa Loa (eye worm)	hypothetical protein	0.0044	0.036	0.0358
Entamoeba histolytica	deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein	0.0948	1	1
Echinococcus multilocularis	Immunoglobulin	0.0038	0.0288	0.0287
Treponema pallidum	deoxyuridine 5'-triphosphate nucleotidohydrolase (dut)	0.0948	1	0.5
Toxoplasma gondii	deoxyuridine 5'-triphosphate nucleotidohydrolase, putative	0.0948	1	1
Echinococcus granulosus	neuroglian	0.0043	0.0344	0.0343
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0012	0.0014	0.0014
Echinococcus multilocularis	neuroglian	0.0012	0.0014	0.0013
Entamoeba histolytica	deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein	0.0948	1	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0014	0.0013
Echinococcus granulosus	roundabout 2	0.0012	0.0014	0.0013
Loa Loa (eye worm)	dUTP diphosphatase	0.0948	1	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0288	0.0287
Schistosoma mansoni	hypothetical protein	0.0019	0.009	0.0076
Echinococcus multilocularis	contactin neuroglian septate junction protein	0.0012	0.0014	0.0013
Echinococcus multilocularis	roundabout 2	0.0012	0.0014	0.0013
Echinococcus multilocularis	roundabout 2	0.0012	0.0014	0.0013
Loa Loa (eye worm)	hypothetical protein	0.0019	0.009	0.0089
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0019	0.009	0.0089
Entamoeba histolytica	deoxyuridine 5-triphosphate nucleotidohydrolase, mitochondrial precursor, putative	0.0948	1	1
Brugia malayi	Fibronectin type III domain containing protein	0.0038	0.0288	0.0288
Schistosoma mansoni	cpg binding protein	0.0037	0.0278	0.0264
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0014	0.0013
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.0529	0.0528
Onchocerca volvulus		0.006	0.0524	0.3208
Schistosoma mansoni	vesicular amine transporter	0.0038	0.0288	0.0275
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0019	0.009	0.009
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.0326	0.0326
Wolbachia endosymbiont of Brugia malayi	dUTPase	0.0948	1	1
Echinococcus multilocularis	cpg binding protein	0.0037	0.0278	0.0277
Mycobacterium tuberculosis	Probable deoxycytidine triphosphate deaminase Dcd (dCTP deaminase)	0.0329	0.3398	0.5
Echinococcus granulosus	macrophage colony stimulating factor 1 receptor	0.0612	0.6419	0.6418
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.02	0.202	0.2019
Echinococcus granulosus	dUTP pyrophosphatase	0.0948	1	1
Echinococcus granulosus	neuroglian	0.0012	0.0014	0.0013
Echinococcus multilocularis	receptor type tyrosine protein phosphatase F	0.0012	0.0014	0.0013
Echinococcus granulosus	roundabout 2	0.005	0.0416	0.0414
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0074	0.0672	0.0658
Loa Loa (eye worm)	hypothetical protein	0.006	0.0529	0.0528
Entamoeba histolytica	hypothetical protein	0.0619	0.6489	0.4682
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0012	0.0014	0.0013
Plasmodium vivax	deoxyuridine 5'-triphosphate nucleotidohydrolase, putative	0.0948	1	0.5
Mycobacterium ulcerans	deoxyuridine 5'-triphosphate nucleotidohydrolase	0.0329	0.3398	0.5
Brugia malayi	CXXC zinc finger family protein	0.0035	0.0257	0.0257
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0012	0.0014	0.0014
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0012	0.0014	0.0013
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0012	0.0014	0.0014
Schistosoma mansoni	tyrosine kinase	0.0015	0.0051	0.0037
Schistosoma mansoni	hypothetical protein	0.0494	0.5156	0.5149
Echinococcus multilocularis	neuroglian	0.0043	0.0344	0.0343
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0288	0.0287
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0012	0.0014	0.0013
Entamoeba histolytica	hypothetical protein	0.0948	1	1
Echinococcus multilocularis	tumor protein p63	0.0408	0.424	0.4239
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0012	0.0014	0.0014
Schistosoma mansoni	cpg binding protein	0.0035	0.0257	0.0243
Echinococcus multilocularis	roundabout 2	0.005	0.0416	0.0414
Mycobacterium leprae	PROBABLE DEOXYCYTIDINE TRIPHOSPHATE DEAMINASE DCD (DCTP DEAMINASE)	0.0329	0.3398	0.5
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0019	0.009	0.0089
Echinococcus multilocularis	dUTP pyrophosphatase	0.0948	1	1
Schistosoma mansoni	cell adhesion molecule	0.0044	0.036	0.0346
Echinococcus multilocularis	lachesin	0.0012	0.0014	0.0013
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0014	0.0013
Plasmodium falciparum	deoxyuridine 5'-triphosphate nucleotidohydrolase	0.0948	1	0.5
Echinococcus granulosus	defective proboscis extension response	0.0038	0.0288	0.0287
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0288	0.0287
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0012	0.0014	0.0014
Echinococcus granulosus	twitchin	0.0043	0.0344	0.0343
Onchocerca volvulus		0.0035	0.0257	0.1527
Brugia malayi	hypothetical protein	0.0038	0.0288	0.0288
Loa Loa (eye worm)	hypothetical protein	0.005	0.0416	0.0414
Onchocerca volvulus		0.0152	0.1511	0.9419

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.5858 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)	7.9433 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)	12.5893 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 15.8489 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	18.526 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	19.9526 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860]	ChEMBL.	No reference
Potency (functional)	= 22.3872 um	PUBCHEM_BIOASSAY: qHTS Assay for Identifying a Potential Treatment of Ataxia-Telangiectasia. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	29.0929 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860]	ChEMBL.	No reference
Potency (functional)	39.8107 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391]	ChEMBL.	No reference
Potency (binding)	= 44.6684 um	PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)]	ChEMBL.	No reference
Potency (functional)	44.6684 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402]	ChEMBL.	No reference
Potency (functional)	44.6684 uM	PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23
Homo sapiens	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: CHEMBL1549338

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 1414705