SCHEMBL7843547

SCHEMBL7843547

Cc1nc(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccncc2)s1

nearest known ligand 0.75

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 18/20 0.75
MAPK14 Q16539 2/20 0.61
PTGS1 P23219 6/20 0.59
ALDH1A1 P00352 1/20 0.50
ALOX5 P09917 1/20 0.50
CSNK1A1 P48729 1/20 0.50
CSNK1D P48730 1/20 0.50
CSNK1E P49674 1/20 0.50
MAPK11 Q15759 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CSNK1A1L Q8N752 1/20 0.50

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
SCHEMBL6513400 0.86 PTGS2 (0.78) PTGS2MAPK14PTGS1
SCHEMBL3242265 0.86 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL213779 0.86 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL30712534 0.84 PTGS2 (0.65) PTGS2MAPK14PTGS1ALDH1A1SMN1; SMN2
SCHEMBL7843990 0.82 PTGS2 (0.66) PTGS2MAPK14PTGS1
SCHEMBL7846640 0.82 PTGS2 (0.62) PTGS2MAPK14PTGS1ALDH1A1ALOX5
SCHEMBL6511496 0.82 PTGS2 (0.65) PTGS2MAPK14PTGS1
SCHEMBL7844433 0.81 PTGS2 (0.80) PTGS2MAPK14
SCHEMBL7844540 0.81 PTGS2 (0.79) PTGS2MAPK14PTGS1ALDH1A1ALOX5
SCHEMBL7842256 0.81 PTGS2 (0.79) PTGS2MAPK14PTGS1ALDH1A1ALOX5

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