SCHEMBL7843760

SCHEMBL7843760

CS(=O)(=O)c1ccccc1-c1sc(C(=O)NCc2ccc(Br)cc2)nc1-c1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.45
MAOB P27338 2/20 0.43
RXFP1 Q9HBX9 1/20 0.40
POLB P06746 2/20 0.40
ALOX5 P09917 1/20 0.39
MAPT P10636 3/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL7842469 0.95 MAOB (0.47) PTGS2MAOBRXFP1ALOX5MAPT
SCHEMBL7844960 0.93 PTGS2 (0.45) PTGS2MAOBPOLBMAPTLMNA
SCHEMBL7841078 0.93 PTGS2 (0.48) PTGS2MAOBRXFP1ALOX5MAPT
SCHEMBL7847000 0.92 PTGS2 (0.46) PTGS2MAOBRXFP1MAPTLMNA
SCHEMBL7841881 0.91 PTGS2 (0.46) PTGS2MAOBRXFP1MAPTALDH1A1
SCHEMBL7844759 0.90 THRB (0.43) PTGS2MAOBRXFP1ALOX5LMNA
SCHEMBL7832865 0.89 PTGS2 (0.44) PTGS2MAOBALOX5MAPTL3MBTL1
SCHEMBL7846159 0.88 MAOB (0.47) PTGS2MAOBRXFP1MAPTLMNA
SCHEMBL7842485 0.87 MAOB (0.50) PTGS2MAOBALOX5
SCHEMBL7844201 0.86 PTGS2 (0.43) 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 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