SCHEMBL8776913

SCHEMBL8776913

Cc1nc(-c2ccc(F)cc2)c(-c2ccccc2S(C)(=O)=O)cc1C#N

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.47
PTGS2 P35354 10/20 0.40
NR1H2 P55055 1/20 0.39
PIK3CD O00329 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HSD11B1 P28845 1/20 0.37
PTGS1 P23219 2/20 0.37
ADORA1 P30542 1/20 0.37
ALOX5AP P20292 2/20 0.37
FEN1 P39748 2/20 0.37

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
SCHEMBL8098107 0.82 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL8776738 0.80 PTGS2 (0.50) ALOX5PTGS2PTGS1
SCHEMBL8519868 0.78 TRPV1 (0.42) PTGS2ALDH1A1LMNAPTGS1ADORA1
SCHEMBL215180 0.74 PTGS2 (0.54) PTGS2PTGS1
SCHEMBL7682212 0.73 HPGD (0.55) ALOX5PIK3CDALDH1A1LMNAADORA1
SCHEMBL8100978 0.72 CNR1 (0.47) ALOX5ALDH1A1LMNAPTGS1
SCHEMBL8095222 0.71 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL6904881 0.71 PTGS2 (0.68) ALOX5PTGS2ALDH1A1HSD11B1PTGS1
SCHEMBL8098348 0.71 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL7833269 0.70 PTGS2 (0.64) ALOX5PTGS2PTGS1

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-0808304-A1 2,3-SUBSTITUTED PYRIDINES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-11-26 EP disclosed
WO-1996024584-A1 2,3-SUBSTITUTED PYRIDINES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-08-15 WO disclosed