SCHEMBL9614841

SCHEMBL9614841

Nc1ccc2cccc(S(=O)(=O)O)c2c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.50
FABP4 P15090 1/20 0.50
CCNA2 P20248 1/20 0.50
CDK2 P24941 1/20 0.50
MAPK14 Q16539 1/20 0.50
NR4A1 P22736 2/20 0.49
AURKA O14965 1/20 0.49
AURKB Q96GD4 1/20 0.49
PHLPP2 Q6ZVD8 1/20 0.44
SENP2 Q9HC62 3/20 0.42
SUMO2 P61956 2/20 0.42
SUMO1 P63165 2/20 0.42
SENP7 Q9BQF6 2/20 0.42
SENP1 Q9P0U3 2/20 0.41
GLO1 Q04760 1/20 0.41
SENP3 Q9H4L4 1/20 0.41
CTRB1 P17538 1/20 0.40
ATIC P31939 2/20 0.40
NQO1 P15559 1/20 0.39
CYP1A2 P05177 2/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28065899 0.84 TTR (0.54) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL28065857 0.83 TTR (0.47) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL13730297 0.82 CDK2 (0.55) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL29360969 0.82 TTR (0.58) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL179823 0.82 TTR (0.58) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL29318860 0.81 AURKA (0.46) TTRNR4A1AURKAAURKBSENP2
Water SCHEMBL7765550 0.80 TTR (0.56) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL21240726 0.80 TTR (0.56) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL2984538 0.80 TTR (0.56) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL9464970 0.79 CDK2 (0.46) TTRFABP4CCNA2CDK2MAPK14

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0474654-A1 WATER SOLUBLE, FIBRE-REACTIVE DYES, PROCESS FOR MANUFACTURING THEM AND THEIR USE. HOECHST AG (DE) 1992-03-18 EP disclosed
US-4216166-A Nitro precursors to amine precursors to ureide inhibitors of connective tissue destruction AMERICAN CYANAMID COMPANY (US) 1980-08-05 US disclosed