SCHEMBL7839802

SCHEMBL7839802

Cc1csc(-c2sc(Cc3ccccc3)nc2-c2ccc(F)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.57
PTGDR2 Q9Y5Y4 6/20 0.52
MAPK14 Q16539 3/20 0.42
PTGS1 P23219 1/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
OPRK1 P41145 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TP53 P04637 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
SCHEMBL7833920 0.90 PTGS2 (0.58) PTGS2PTGDR2MAPK14PTGS1ALDH1A1
SCHEMBL7844371 0.88 PTGS2 (0.60) PTGS2PTGDR2MAPK14PTGS1
SCHEMBL7841796 0.85 PTGS2 (0.54) PTGS2MAPK14PTGS1
SCHEMBL7847056 0.83 PTGDR2 (0.48) PTGS2PTGDR2MAPK14PTGS1
SCHEMBL7843106 0.81 PTGS2 (0.57) PTGS2PTGDR2MAPK14PTGS1MEN1
SCHEMBL7844988 0.80 PTGS2 (0.52) PTGS2MAPK14PTGS1MEN1ALDH1A1
SCHEMBL7832559 0.80 MAPT (0.45) PTGS2MAPK14PTGS1ALDH1A1MAPT
SCHEMBL7832074 0.78 PTGS2 (0.60) PTGS2MAPK14MEN1ALDH1A1MAPT
SCHEMBL9617496 0.77 PTGS2 (0.41) PTGS2MAPK14PTGS1ALDH1A1
SCHEMBL7832752 0.77 PTGS2 (0.57) PTGS2MAPK14

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