SCHEMBL7841016

SCHEMBL7841016

CS(=O)(=O)c1ccccc1-c1nc(C(=O)Nc2ccc(F)cc2)sc1-c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.46
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
MAPT P10636 3/20 0.44
TP53 P04637 1/20 0.43
ATR Q13535 1/20 0.42
ALOX5 P09917 1/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 1/20 0.42
PKM P14618 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PTGS1 P23219 1/20 0.41
HIPK4 Q8NE63 1/20 0.41
BCAT2 O15382 1/20 0.41

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
SCHEMBL7842353 0.97 NPC1 (0.48) PTGS2NPC1RAB9AMAPTTP53
SCHEMBL7841896 0.96 MAPT (0.46) PTGS2NPC1RAB9AMAPTTP53
SCHEMBL7842757 0.95 PTGS2 (0.46) PTGS2NPC1RAB9AMAPTKMT2A
SCHEMBL7845840 0.93 NPSR1 (0.45) PTGS2NPC1RAB9AMAPTTP53
SCHEMBL7846162 0.92 PTGS2 (0.46) PTGS2NPC1RAB9AMAPTTP53
SCHEMBL7842512 0.91 ESRRG (0.48) PTGS2NPC1RAB9AMAPTTP53
SCHEMBL7832325 0.90 PTGS2 (0.45) PTGS2MAPTTP53ALOX5KMT2A
SCHEMBL7845585 0.89 GRM5 (0.43) PTGS2NPC1RAB9AMAPTATR
SCHEMBL7844202 0.89 L3MBTL1 (0.44) PTGS2NPC1RAB9AMAPTKMT2A
SCHEMBL7842019 0.88 ATR (0.46) PTGS2NPC1RAB9AMAPTATR

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