SCHEMBL8776895

SCHEMBL8776895

CS(=O)(=O)c1ccc(-c2cc(C#N)c(Cl)nc2-c2ccc(F)cc2)cc1.N#Cc1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 0.47
PTGS1 P23219 8/20 0.47
MAPK13 O15264 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
MAPK14 Q16539 1/20 0.43
SLC22A12 Q96S37 1/20 0.41

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
SCHEMBL8087025 0.88 PTGS2 (0.54) PTGS2PTGS1
SCHEMBL8101739 0.78 MAPK13 (0.54) PTGS2PTGS1MAPK13MAPK12MAPK11
SCHEMBL8776749 0.78 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL8095222 0.78 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL215180 0.77 PTGS2 (0.54) PTGS2PTGS1
SCHEMBL8098348 0.77 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL8098107 0.77 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL2932218 0.76 CNR1 (0.49) MAPK13MAPK12MAPK11MAPK14
SCHEMBL8094036 0.76 PTGS2 (0.48) PTGS2PTGS1
SCHEMBL212410 0.76 PTGS2 (0.51) PTGS2PTGS1

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