SCHEMBL8800641

SCHEMBL8800641

CS(=O)(=O)c1ccc(-c2nc(CC(=O)CCc3ccccc3)[nH]c2-c2ccc(F)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.54
PTGS1 P23219 9/20 0.54
MAPK11 Q15759 2/20 0.53
MAPK14 Q16539 2/20 0.53
MAPK13 O15264 1/20 0.53
GCGR P47871 1/20 0.53
MAPK12 P53778 1/20 0.53
ALDH1A1 P00352 1/20 0.49
ALOX5 P09917 1/20 0.49
CSNK1A1 P48729 1/20 0.49
CSNK1D P48730 1/20 0.49
CSNK1E P49674 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CSNK1A1L Q8N752 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
SCHEMBL7083970 0.80 PTGS2 (0.55) PTGS2PTGS1MAPK11MAPK14ALDH1A1
SCHEMBL7083950 0.80 PTGS2 (0.58) PTGS2PTGS1MAPK11MAPK14ALDH1A1
SCHEMBL7090558 0.80 PTGS2 (0.58) PTGS2PTGS1MAPK11MAPK14MAPK13
SCHEMBL7084129 0.79 PTGS2 (0.68) PTGS2PTGS1MAPK11MAPK14ALDH1A1
SCHEMBL7087758 0.79 PTGS2 (0.68) PTGS2PTGS1MAPK11MAPK14ALDH1A1
SCHEMBL7085196 0.76 PTGS2 (0.59) PTGS2PTGS1MAPK11MAPK14MAPK13
SCHEMBL7089166 0.76 PTGS2 (0.61) PTGS2PTGS1MAPK11MAPK14MAPK13
SCHEMBL7085197 0.75 PTGS2 (0.75) PTGS2PTGS1MAPK11MAPK14ALDH1A1
SCHEMBL7089059 0.74 PTGS2 (0.65) PTGS2PTGS1MAPK11MAPK14ALDH1A1
SCHEMBL8802036 0.74 PTGS2 (0.65) PTGS2PTGS1MAPK11MAPK14ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0772601-A1 4,5-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-05-14 EP disclosed