SCHEMBL8557315

SCHEMBL8557315

COc1cc(F)cc(-c2nc(C(F)(F)F)c(-c3ccc(S(C)(=O)=O)cc3)[nH]2)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.55
TEK Q02763 2/20 0.51
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ALOX5 P09917 2/20 0.48
CSNK1A1 P48729 1/20 0.48
CSNK1D P48730 1/20 0.48
CSNK1E P49674 1/20 0.48
MAPK11 Q15759 1/20 0.48
MAPK14 Q16539 1/20 0.48
CSNK1A1L Q8N752 1/20 0.48
KDM4E B2RXH2 1/20 0.43
USP2 O75604 1/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PTGS1 P23219 3/20 0.42
SCD O00767 1/20 0.42

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
SCHEMBL5500317 0.79 SCD (0.54) PTGS2ALDH1A1SMN1; SMN2ALOX5CSNK1A1
SCHEMBL6448446 0.76 MAPK14 (0.64) PTGS2ALDH1A1SMN1; SMN2ALOX5CSNK1A1
SCHEMBL5144240 0.76 MAPK14 (0.51) TEKALDH1A1SMN1; SMN2ALOX5CSNK1A1
SCHEMBL8554519 0.76 PTGS2 (0.47) PTGS2ALDH1A1SMN1; SMN2ALOX5CSNK1A1
SCHEMBL5597026 0.76 PTGS2 (0.53) PTGS2TEKALDH1A1SMN1; SMN2ALOX5
SCHEMBL6465182 0.76 SCD (0.56) PTGS2ALDH1A1SMN1; SMN2ALOX5CSNK1A1
SCHEMBL5501473 0.75 PTGS2 (0.50) PTGS2TEKALDH1A1SMN1; SMN2ALOX5
SCHEMBL5597237 0.75 PTGS2 (0.54) PTGS2ALDH1A1SMN1; SMN2ALOX5CSNK1A1
SCHEMBL5698677 0.75 ALOX5 (0.74) PTGS2TEKALDH1A1SMN1; SMN2ALOX5
SCHEMBL6440993 0.74 PTGS2 (0.52) PTGS2ALDH1A1SMN1; SMN2ALOX5CSNK1A1

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