SCHEMBL7844540

SCHEMBL7844540

CS(=O)(=O)c1ccc(-c2nc(C(F)(F)F)sc2-c2ccncc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 0.79
PTGS1 P23219 2/20 0.79
MAPK14 Q16539 2/20 0.54
ALDH1A1 P00352 1/20 0.46
ALOX5 P09917 1/20 0.46
CSNK1A1 P48729 1/20 0.46
CSNK1D P48730 1/20 0.46
CSNK1E P49674 1/20 0.46
MAPK11 Q15759 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CSNK1A1L Q8N752 1/20 0.46

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
SCHEMBL7842256 1.00 PTGS2 (0.79) PTGS2PTGS1MAPK14ALDH1A1ALOX5
SCHEMBL214754 0.88 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL214771 0.88 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL7843547 0.81 PTGS2 (0.75) PTGS2PTGS1MAPK14ALDH1A1ALOX5
SCHEMBL30712534 0.80 PTGS2 (0.65) PTGS2PTGS1MAPK14ALDH1A1SMN1; SMN2
SCHEMBL7846438 0.79 PTGS2 (0.78) PTGS2PTGS1MAPK14
SCHEMBL6508524 0.79 PTGS2 (1.00) PTGS2PTGS1MAPK14
SCHEMBL7841916 0.79 PTGS2 (1.00) PTGS2PTGS1MAPK14
SCHEMBL7845707 0.79 PTGS2 (0.60) PTGS2PTGS1MAPK14ALDH1A1ALOX5
SCHEMBL7054900 0.79 PTGS2 (0.81) 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