SCHEMBL7844360

SCHEMBL7844360

CSc1ccc(-c2sc(CCCc3ccccc3)nc2-c2ccc(F)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.69
PTGS1 P23219 2/20 0.45
MAPK14 Q16539 6/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.41
MAPK13 O15264 2/20 0.38
GCGR P47871 2/20 0.38
MAPK12 P53778 2/20 0.38
MAPK11 Q15759 2/20 0.38
ALOX5 P09917 2/20 0.38
CNR2 P34972 1/20 0.38
PRKD3 O94806 1/20 0.37
MAP4K4 O95819 1/20 0.37
LCK P06239 1/20 0.37
RET P07949 1/20 0.37
PRKACA P17612 1/20 0.37
RPS6KB1 P23443 1/20 0.37
MATK P42679 1/20 0.37
FRK P42685 1/20 0.37
MAPK9 P45984 1/20 0.37
CSNK1A1 P48729 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
SCHEMBL7833914 0.93 PTGS2 (0.68) PTGS2PTGS1MAPK14PTGDR2MAPK13
SCHEMBL7839793 0.87 PTGS2 (0.67) PTGS2PTGS1MAPK14PTGDR2MAPK13
SCHEMBL7840649 0.82 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL7841792 0.81 PTGS2 (0.64) PTGS2PTGS1MAPK14MAPK13GCGR
SCHEMBL7840283 0.80 PTGS2 (0.80) PTGS2PTGS1
SCHEMBL7847052 0.79 PTGDR2 (0.51) PTGS2PTGS1MAPK14PTGDR2
SCHEMBL7843097 0.77 PTGS2 (0.67) PTGS2PTGS1MAPK14MAPK13GCGR
SCHEMBL7844371 0.76 PTGS2 (0.60) PTGS2PTGS1MAPK14PTGDR2MAPK13
SCHEMBL7843982 0.76 PTGS2 (0.48) PTGS2PTGS1MAP4K4PRKACARPS6KB1
SCHEMBL7846414 0.76 PTGS2 (0.74) PTGS2PTGS1PTGDR2ALOX5

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5126345-A Viricides E. R. SQUIBB & SONS, INC. (US) 1992-06-30 US claimed
EP-1125932-A2 Substituted thiazoles for the treatment of inflammation G.D. SEARLE & CO. (US) 2001-08-22 EP disclosed
EP-0335355-B1 Bis-(hydroxymethyl) cyclobutyl purines and pyrimidines SQUIBB & SONS INC (US) 1997-10-01 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
US-5130462-A Intermediates for viricides E. R. SQUIBB & SONS, INC. (US) 1992-07-14 US disclosed