SCHEMBL7842708

SCHEMBL7842708

CCNc1nc(-c2ccncc2)c(-c2ccc(S(C)(=O)=O)cc2)s1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 18/20 0.62
MAPK14 Q16539 1/20 0.55
PTGS1 P23219 2/20 0.52
PIK3CD O00329 1/20 0.44
PIK3CA P42336 1/20 0.44
PIK3CB P42338 1/20 0.44
PIK3CG P48736 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
SCHEMBL7841857 0.91 PTGS2 (0.57) PTGS2MAPK14PTGS1PIK3CDPIK3CA
SCHEMBL7842346 0.89 PTGS2 (0.55) PTGS2MAPK14PTGS1
SCHEMBL7841059 0.88 PTGS2 (0.68) PTGS2PTGS1
SCHEMBL7844299 0.87 PTGS2 (0.53) PTGS2MAPK14PTGS1
SCHEMBL7846640 0.86 PTGS2 (0.62) PTGS2MAPK14PTGS1PIK3CDPIK3CA
SCHEMBL7846478 0.85 PTGS2 (0.56) PTGS2MAPK14PTGS1
SCHEMBL7845707 0.84 PTGS2 (0.60) PTGS2MAPK14PTGS1PIK3CDPIK3CA
SCHEMBL6283182 0.81 MAPT (0.64) PTGS2
SCHEMBL7843547 0.79 PTGS2 (0.75) PTGS2MAPK14PTGS1
SCHEMBL213895 0.79 PTGS2 (0.65) PTGS2PTGS1

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