SCHEMBL8801362

SCHEMBL8801362

Cc1nc(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccccc2F)[nH]1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.52
PTGS1 P23219 7/20 0.52
SCD O00767 2/20 0.50
FADS1 O60427 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
ALDH1A1 P00352 1/20 0.46
ALOX5 P09917 1/20 0.46
CSNK1A1 P48729 1/20 0.46
CSNK1D P48730 1/20 0.46
CSNK1E P49674 1/20 0.46
MAPK11 Q15759 1/20 0.46
MAPK14 Q16539 1/20 0.46
CSNK1A1L Q8N752 1/20 0.46

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
SCHEMBL7087414 0.84 PTGS2 (0.49) PTGS2PTGS1SCDFADS1SMN1; SMN2
SCHEMBL7083972 0.81 PTGS2 (0.75) PTGS2PTGS1SMN1; SMN2ALDH1A1ALOX5
SCHEMBL7085282 0.76 PTGS2 (0.46) PTGS2PTGS1SMN1; SMN2ALDH1A1ALOX5
SCHEMBL9206986 0.75 PTGS2 (0.73) PTGS2PTGS1SCDFADS1
SCHEMBL7780772 0.75 PTGS2 (0.51) PTGS2PTGS1SCDFADS1
SCHEMBL8796975 0.74 PTGS2 (0.69) PTGS2PTGS1SCDFADS1
SCHEMBL7085206 0.74 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL7981803 0.74 PTGS2 (0.53) PTGS2SCDFADS1MAPK11MAPK14
SCHEMBL7780441 0.72 PTGS2 (0.46) PTGS2PTGS1SCDFADS1
SCHEMBL27627173 0.72 PTGS2 (0.49) PTGS2PTGS1SMN1; SMN2ALDH1A1ALOX5

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