SCHEMBL7846478

SCHEMBL7846478

CS(=O)(=O)c1ccc(-c2sc(NCc3ccccc3)nc2-c2ccncc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.56
PTGS1 P23219 3/20 0.55
MAPK14 Q16539 2/20 0.54
ROCK2 O75116 2/20 0.49
GSK3B P49841 1/20 0.49
MAP4K4 O95819 1/20 0.49
PRKCG P05129 1/20 0.49
LYN P07948 1/20 0.49
PRKACA P17612 1/20 0.49
RPS6KB1 P23443 1/20 0.49
AKT1 P31749 1/20 0.49
FLT3 P36888 1/20 0.49
CSNK1D P48730 1/20 0.49
CLK2 P49760 1/20 0.49
IRAK1 P51617 1/20 0.49
PRKX P51817 1/20 0.49
NEK4 P51957 1/20 0.49
PRKCD Q05655 1/20 0.49
ROCK1 Q13464 1/20 0.49
DYRK1A Q13627 1/20 0.49

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
SCHEMBL216750 0.89 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL7842708 0.85 PTGS2 (0.62) PTGS2PTGS1MAPK14
SCHEMBL7841857 0.83 PTGS2 (0.57) PTGS2PTGS1MAPK14
SCHEMBL7842346 0.81 PTGS2 (0.55) PTGS2PTGS1MAPK14
SCHEMBL7846640 0.81 PTGS2 (0.62) PTGS2PTGS1MAPK14CSNK1D
SCHEMBL7844433 0.80 PTGS2 (0.80) PTGS2MAPK14
SCHEMBL6280002 0.80 ADORA3 (0.53) PTGS2PTGS1MAPK14ROCK2GSK3B
SCHEMBL7844299 0.80 PTGS2 (0.53) PTGS2PTGS1MAPK14
SCHEMBL7845707 0.79 PTGS2 (0.60) PTGS2PTGS1MAPK14CSNK1D
SCHEMBL7841561 0.78 PTGS2 (0.71) PTGS2PTGS1ROCK2GSK3B

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 3 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
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