SCHEMBL7844433

SCHEMBL7844433

CS(=O)(=O)c1ccc(-c2sc(-c3ccccc3)nc2-c2ccncc2)cc1

nearest known ligand 0.80

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.80
MAPK14 Q16539 5/20 0.77
CDC7 O00311 2/20 0.54
DBF4 Q9UBU7 2/20 0.54
CCNE1 P24864 1/20 0.52
CDK2 P24941 1/20 0.52

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
SCHEMBL6503233 0.89 PTGS2 (0.78) PTGS2MAPK14
SCHEMBL6508524 0.89 PTGS2 (1.00) PTGS2MAPK14
SCHEMBL7841916 0.89 PTGS2 (1.00) PTGS2MAPK14
SCHEMBL7843526 0.88 PTGS2 (0.78) PTGS2MAPK14
SCHEMBL6503358 0.88 PTGS2 (0.78) PTGS2MAPK14
SCHEMBL7832424 0.87 PTGS2 (1.00) PTGS2MAPK14
SCHEMBL6280887 0.87 MAPK14 (1.00) PTGS2MAPK14
SCHEMBL6504016 0.85 MAPK14 (0.81) PTGS2MAPK14
SCHEMBL11456658 0.85 CDC7 (0.67) PTGS2MAPK14CDC7DBF4CCNE1
SCHEMBL7843084 0.84 PTGS2 (0.85) PTGS2MAPK14

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