SCHEMBL8554519

SCHEMBL8554519

CSc1cc(-c2nc(C(F)(F)F)c(-c3ccc(S(C)(=O)=O)cc3)[nH]2)ccc1F

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.47
PTGS1 P23219 3/20 0.47
MAPK14 Q16539 3/20 0.46
ALOX5 P09917 2/20 0.46
ALDH1A1 P00352 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
SMN1; SMN2 Q16637 1/20 0.46
CSNK1A1L Q8N752 1/20 0.46
KIF11 P52732 1/20 0.41
SCD O00767 1/20 0.40

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
SCHEMBL5144240 0.81 MAPK14 (0.51) MAPK14ALOX5ALDH1A1CSNK1A1CSNK1D
SCHEMBL6465182 0.80 SCD (0.56) PTGS2PTGS1MAPK14ALOX5ALDH1A1
SCHEMBL5500317 0.79 SCD (0.54) PTGS2PTGS1MAPK14ALOX5ALDH1A1
SCHEMBL6448446 0.79 MAPK14 (0.64) PTGS2PTGS1MAPK14ALOX5ALDH1A1
SCHEMBL5597237 0.77 PTGS2 (0.54) PTGS2PTGS1MAPK14ALOX5ALDH1A1
SCHEMBL8557315 0.76 PTGS2 (0.55) PTGS2PTGS1MAPK14ALOX5ALDH1A1
SCHEMBL5597026 0.76 PTGS2 (0.53) PTGS2MAPK14ALOX5ALDH1A1CSNK1A1
SCHEMBL5501473 0.75 PTGS2 (0.50) PTGS2PTGS1MAPK14ALOX5ALDH1A1
SCHEMBL5597148 0.74 PTGS2 (0.50) PTGS2PTGS1MAPK14ALOX5ALDH1A1
SCHEMBL6440993 0.74 PTGS2 (0.52) PTGS2PTGS1MAPK14ALOX5ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0880504-A1 HETEROCYCLO-SUBSTITUTED IMIDAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1998-12-02 EP disclosed
WO-1997027181-A1 HETEROCYCLO-SUBSTITUTED IMIDAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-07-31 WO disclosed