SCHEMBL7844231

SCHEMBL7844231

COc1ccc(OCc2nc(-c3ccccc3F)c(-c3ccccc3S(C)(=O)=O)s2)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
PPARD Q03181 12/20 0.42
PTGS2 P35354 1/20 0.41
FFAR1 O14842 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
GRM5 P41594 1/20 0.38
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL8801720 0.91 PTGS2 (0.42) MAPTPPARDPTGS2FFAR1GRM5
SCHEMBL7844228 0.87 PTGS2 (0.57) PPARDPTGS2
SCHEMBL7843368 0.84 PTGS2 (0.42) MAPTPPARDPTGS2FFAR1GRM5
SCHEMBL7843555 0.83 PTGS2 (0.51) PPARDPTGS2NPC1RAB9AKMT2A
SCHEMBL7841302 0.83 PTGS2 (0.51) PPARDPTGS2NPC1RAB9AKMT2A
SCHEMBL7833567 0.82 PTGS2 (0.56) PPARDPTGS2PPARGPPARAL3MBTL1
SCHEMBL7844271 0.80 PTGS2 (0.53) PPARDPTGS2GRM5NPC1RAB9A
SCHEMBL7840138 0.80 PTGS2 (0.53) PPARDPTGS2GRM5NPC1RAB9A
SCHEMBL7840172 0.80 PTGS2 (0.48) PPARDPTGS2NPC1RAB9AKMT2A
SCHEMBL7842156 0.80 PTGS2 (0.48) PPARDPTGS2NPC1RAB9AKMT2A

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