SCHEMBL7846640

SCHEMBL7846640

CNc1nc(-c2ccncc2)c(-c2ccc(S(C)(=O)=O)cc2)s1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 16/20 0.62
MAPK14 Q16539 2/20 0.55
ALDH1A1 P00352 2/20 0.55
KDM4E B2RXH2 1/20 0.55
MAPT P10636 1/20 0.55
PTGS1 P23219 2/20 0.49
PIK3CD O00329 1/20 0.47
PIK3CA P42336 1/20 0.47
PIK3CB P42338 1/20 0.47
PIK3CG P48736 1/20 0.47
ALOX5 P09917 1/20 0.44
CSNK1A1 P48729 1/20 0.44
CSNK1D P48730 1/20 0.44
CSNK1E P49674 1/20 0.44
MAPK11 Q15759 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CSNK1A1L Q8N752 1/20 0.44

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
SCHEMBL7845707 0.87 PTGS2 (0.60) PTGS2MAPK14ALDH1A1PTGS1PIK3CD
SCHEMBL7833803 0.87 PTGS2 (0.70) PTGS2ALDH1A1KDM4EMAPTPTGS1
SCHEMBL7842708 0.86 PTGS2 (0.62) PTGS2MAPK14PTGS1PIK3CDPIK3CA
SCHEMBL7841857 0.84 PTGS2 (0.57) PTGS2MAPK14ALDH1A1KDM4EMAPT
SCHEMBL7843547 0.82 PTGS2 (0.75) PTGS2MAPK14ALDH1A1PTGS1ALOX5
SCHEMBL7842346 0.82 PTGS2 (0.55) PTGS2MAPK14ALDH1A1KDM4EMAPT
SCHEMBL7846478 0.81 PTGS2 (0.56) PTGS2MAPK14PTGS1CSNK1D
SCHEMBL7843803 0.81 PTGS2 (0.54) PTGS2MAPK14PTGS1
SCHEMBL30712534 0.81 PTGS2 (0.65) PTGS2MAPK14ALDH1A1KDM4EMAPT
SCHEMBL7844299 0.81 PTGS2 (0.53) PTGS2MAPK14ALDH1A1KDM4EMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1125932-A2 Substituted thiazoles for the treatment of inflammation G.D. SEARLE & CO. (US) 2001-08-22 EP disclosed
EP-0772606-A1 SUBSTITUTED THIAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-05-14 EP disclosed
WO-1996003392-A1 SUBSTITUTED THIAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-02-08 WO disclosed