SCHEMBL8805296

SCHEMBL8805296

C=CCOC(C)c1nc(-c2ccc(F)cc2)c(-c2ccc(S(C)(=O)=O)cc2)[nH]1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 16/20 0.56
PTGS1 P23219 12/20 0.56
ALOX5 P09917 2/20 0.51
ALDH1A1 P00352 1/20 0.51
CSNK1A1 P48729 1/20 0.51
CSNK1D P48730 1/20 0.51
CSNK1E P49674 1/20 0.51
MAPK11 Q15759 1/20 0.51
MAPK14 Q16539 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CSNK1A1L Q8N752 1/20 0.51

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
SCHEMBL7085157 0.84 PTGS2 (0.64) PTGS2PTGS1ALOX5ALDH1A1CSNK1A1
SCHEMBL5698690 0.81 PTGS2 (0.70) PTGS2PTGS1ALOX5ALDH1A1CSNK1A1
SCHEMBL7085190 0.79 PTGS2 (0.58) PTGS2PTGS1ALOX5ALDH1A1CSNK1A1
SCHEMBL7084169 0.79 PTGS2 (0.67) PTGS2PTGS1ALOX5ALDH1A1CSNK1A1
SCHEMBL8805289 0.78 PTGS2 (0.56) PTGS2PTGS1ALOX5ALDH1A1CSNK1A1
SCHEMBL7084294 0.74 PTGS2 (0.62) PTGS2PTGS1ALOX5ALDH1A1CSNK1A1
SCHEMBL7090557 0.74 PTGS2 (0.62) PTGS2PTGS1ALOX5ALDH1A1CSNK1A1
SCHEMBL7083972 0.72 PTGS2 (0.75) PTGS2PTGS1ALOX5ALDH1A1CSNK1A1
SCHEMBL8802286 0.72 PTGS2 (0.70) PTGS2PTGS1ALOX5ALDH1A1CSNK1A1
SCHEMBL7083925 0.71 PTGS2 (0.73) PTGS2PTGS1ALOX5ALDH1A1CSNK1A1

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 claimed