SCHEMBL7841857

SCHEMBL7841857

CCCNc1nc(-c2ccncc2)c(-c2ccc(S(C)(=O)=O)cc2)s1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 0.57
PTGS1 P23219 2/20 0.50
MAPK14 Q16539 1/20 0.50
GAA P10253 2/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
RECQL P46063 1/20 0.46
LIMK1 P53667 1/20 0.44
PIK3CD O00329 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43
PIK3CG P48736 1/20 0.43

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
SCHEMBL7842346 0.93 PTGS2 (0.55) PTGS2PTGS1MAPK14GAAMAPT
SCHEMBL7844299 0.91 PTGS2 (0.53) PTGS2PTGS1MAPK14GAAMAPT
SCHEMBL7842708 0.91 PTGS2 (0.62) PTGS2PTGS1MAPK14PIK3CDPIK3CA
SCHEMBL213895 0.88 PTGS2 (0.65) PTGS2PTGS1
SCHEMBL7846640 0.84 PTGS2 (0.62) PTGS2PTGS1MAPK14MAPTKDM4E
SCHEMBL7846478 0.83 PTGS2 (0.56) PTGS2PTGS1MAPK14
SCHEMBL7845707 0.82 PTGS2 (0.60) PTGS2PTGS1MAPK14ALDH1A1PIK3CD
SCHEMBL6282302 0.82 MAPT (0.69) PTGS2GAAMAPTKDM4EALDH1A1
SCHEMBL7833194 0.82 PTGS2 (0.63) PTGS2PTGS1
SCHEMBL6051420 0.80 PTGS2 (0.60) PTGS2PTGS1MAPK14

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