SCHEMBL7844733

SCHEMBL7844733

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

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.54
PTGS1 P23219 2/20 0.43
MAPK14 Q16539 3/20 0.36
BRAF P15056 2/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
APP P05067 1/20 0.35
MAPK13 O15264 2/20 0.34
MAPK12 P53778 2/20 0.34
MAPK11 Q15759 2/20 0.34
GCGR P47871 1/20 0.34
ABL1 P00519 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
XBP1 P17861 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL7845812 0.90 PTGS2 (0.54) PTGS2PTGS1MAPK14PTGDR2APP
SCHEMBL7844988 0.84 PTGS2 (0.52) PTGS2PTGS1MAPK14APPMAPK13
SCHEMBL7839879 0.80 PTGS2 (0.54) PTGS2PTGS1MAPK14APPABL1
SCHEMBL7841796 0.80 PTGS2 (0.54) PTGS2PTGS1MAPK14
SCHEMBL7833305 0.80 PTGS2 (0.41) PTGS2PTGS1MAPK14APPMAPK13
SCHEMBL9617496 0.79 PTGS2 (0.41) PTGS2PTGS1MAPK14APP
SCHEMBL7832752 0.79 PTGS2 (0.57) PTGS2MAPK14APPMAPK13MAPK12
SCHEMBL7843176 0.78 PTGS2 (0.43) PTGS2MAPK14ABL1
SCHEMBL7845145 0.77 CYP1A1 (0.40) PTGS2APPKDM4EMAPTMAPK1
SCHEMBL7832074 0.77 PTGS2 (0.60) PTGS2MAPK14MAPK13MAPK12MAPK11

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