SCHEMBL7844271

SCHEMBL7844271

CS(=O)(=O)c1ccccc1-c1sc(COc2ccccc2)nc1-c1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.53
PTGS1 P23219 2/20 0.49
GRM5 P41594 1/20 0.44
ALOX5 P09917 1/20 0.44
PPARD Q03181 4/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL7841302 0.97 PTGS2 (0.51) PTGS2PTGS1ALOX5PPARDNPC1
SCHEMBL7842156 0.93 PTGS2 (0.48) PTGS2PTGS1ALOX5PPARDNPC1
SCHEMBL7833513 0.92 PTGS2 (0.53) PTGS2PTGS1ALOX5PPARDNPC1
SCHEMBL7833526 0.92 PTGS2 (0.48) PTGS2PTGS1GRM5ALOX5PPARD
SCHEMBL7845661 0.92 PTGS2 (0.49) PTGS2PTGS1ALOX5PPARDNPC1
SCHEMBL7843072 0.92 PTGS2 (0.52) PTGS2PTGS1ALOX5PPARD
SCHEMBL7840138 0.92 PTGS2 (0.53) PTGS2PTGS1GRM5ALOX5PPARD
SCHEMBL7843634 0.90 PTGS2 (0.55) PTGS2PTGS1ALOX5PPARDRAB9A
SCHEMBL7839942 0.90 PTGS2 (0.47) PTGS2PTGS1GRM5ALOX5PPARD
SCHEMBL6246548 0.89 PTGS2 (0.65) PTGS2PTGS1ALOX5PPARD

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