SCHEMBL7844199

SCHEMBL7844199

CS(=O)(=O)c1ccccc1-c1nc(C(=O)NCc2cc(F)cc(F)c2)sc1-c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.44
MAOB P27338 2/20 0.42
PTGS1 P23219 2/20 0.40
ALOX5 P09917 1/20 0.39
MAPT P10636 3/20 0.38
LMNA P02545 1/20 0.38
ROCK2 O75116 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CNR1 P21554 1/20 0.38

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
SCHEMBL7846159 0.93 MAOB (0.47) PTGS2MAOBMAPTLMNAL3MBTL1
SCHEMBL7843454 0.93 MAOB (0.50) PTGS2MAOBPTGS1ROCK2
SCHEMBL7832865 0.93 PTGS2 (0.44) PTGS2MAOBPTGS1ALOX5MAPT
SCHEMBL7846336 0.92 PTGS2 (0.48) PTGS2MAOBPTGS1MAPTLMNA
SCHEMBL7843859 0.92 TP53 (0.43) PTGS2MAOBPTGS1MAPTCNR1
SCHEMBL7832889 0.90 MAPT (0.47) PTGS2MAOBMAPTLMNAALDH1A1
SCHEMBL7840239 0.89 TP53 (0.48) PTGS2MAOBPTGS1MAPTLMNA
SCHEMBL7844960 0.89 PTGS2 (0.45) PTGS2MAOBPTGS1MAPTLMNA
SCHEMBL7843267 0.88 MAOB (0.48) PTGS2MAOBPTGS1MAPTCNR1
SCHEMBL7844443 0.88 MAOB (0.42) PTGS2MAOBPTGS1LMNAROCK2

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 4 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
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