SCHEMBL7841887

SCHEMBL7841887

CS(=O)(=O)c1ccccc1-c1sc(C(=O)Nc2ccc(Br)cc2)nc1-c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.43
ALOX5 P09917 1/20 0.41
MAPT P10636 3/20 0.40
TP53 P04637 1/20 0.40
FPR1 P21462 1/20 0.40
FPR2 P25090 1/20 0.40
ATR Q13535 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
F10 P00742 2/20 0.38
F2 P00734 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
SCHEMBL7846162 0.95 PTGS2 (0.46) PTGS2ALOX5MAPTTP53ATR
SCHEMBL7842019 0.92 ATR (0.46) PTGS2ALOX5MAPTATRNPC1
SCHEMBL7833108 0.91 MAPT (0.46) PTGS2ALOX5MAPTTP53ATR
SCHEMBL7845667 0.90 PTGS2 (0.46) PTGS2ALOX5MAPTFPR1FPR2
SCHEMBL7842821 0.90 GRM5 (0.43) PTGS2ALOX5MAPTATRNPC1
SCHEMBL7844026 0.88 NPSR1 (0.45) PTGS2ALOX5MAPTTP53ATR
SCHEMBL7841016 0.87 PTGS2 (0.46) PTGS2ALOX5MAPTTP53ATR
SCHEMBL7841026 0.86 ESRRG (0.48) PTGS2ALOX5MAPTTP53ATR
SCHEMBL7845243 0.86 PTGS2 (0.45) PTGS2ALOX5
SCHEMBL7843760 0.86 PTGS2 (0.45) PTGS2ALOX5MAPT

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