SCHEMBL7844201

SCHEMBL7844201

CS(=O)(=O)c1ccccc1-c1sc(C(=O)NCc2cc(Cl)cc(Cl)c2)nc1-c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.43
TP53 P04637 2/20 0.41
MDM2 Q00987 1/20 0.41
MAOB P27338 2/20 0.41
RORC P51449 1/20 0.40
CNR1 P21554 3/20 0.40
ALOX5 P09917 1/20 0.39
MAPK1 P28482 1/20 0.38
MAPT P10636 1/20 0.37

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
SCHEMBL7844809 0.93 MAOB (0.48) PTGS2TP53MAOBRORCCNR1
SCHEMBL7843859 0.93 TP53 (0.43) PTGS2TP53MDM2MAOBCNR1
SCHEMBL7841881 0.92 PTGS2 (0.46) PTGS2TP53MDM2MAOBCNR1
SCHEMBL7832865 0.92 PTGS2 (0.44) PTGS2MAOBRORCALOX5MAPT
SCHEMBL7842469 0.91 MAOB (0.47) PTGS2MAOBALOX5MAPT
SCHEMBL7841078 0.90 PTGS2 (0.48) PTGS2TP53MDM2MAOBALOX5
SCHEMBL7842485 0.88 MAOB (0.50) PTGS2MAOBRORCALOX5
SCHEMBL7844759 0.88 THRB (0.43) PTGS2MAOBRORCALOX5
SCHEMBL7847000 0.87 PTGS2 (0.46) PTGS2TP53MAOBMAPT
SCHEMBL7843760 0.86 PTGS2 (0.45) PTGS2MAOBALOX5MAPT

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 2 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
US-5668161-A Substituted thiazoles for the treatment of inflammation G.D. SEARLE & CO. (US) 1997-09-16 US disclosed