SCHEMBL8093657

SCHEMBL8093657

CS(=O)(=O)c1ccc(-c2cc(C#N)c(NCCc3ccccc3)nc2-c2ccc(F)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 18/20 0.56
PTGS1 P23219 3/20 0.55
MAPK8 P45983 1/20 0.46
MAPK9 P45984 1/20 0.46
MAPK10 P53779 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
SCHEMBL8094849 0.91 HPGD (0.48) PTGS2PTGS1
SCHEMBL8095114 0.84 PTGS2 (0.58) PTGS2PTGS1
SCHEMBL8099443 0.84 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL8101829 0.83 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL8099266 0.83 PTGS2 (0.53) PTGS2PTGS1MAPK8MAPK9
SCHEMBL8086624 0.83 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL8101771 0.82 PTGS2 (0.54) PTGS2PTGS1
SCHEMBL8092829 0.82 PTGS2 (0.51) PTGS2PTGS1MAPK8MAPK9MAPK10
SCHEMBL8094067 0.82 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL8095119 0.82 HPGD (0.47) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0808304-B1 2,3-SUBSTITUTED PYRIDINES FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2000-12-27 EP disclosed
US-5916905-A ANTIARTHRITIC AGENTS; ANALGESICS; ANTIPYRETICS G. D. SEARLE & CO. (US) 1999-06-29 US disclosed
US-5686470-A 2, 3-substituted pyridines for the treatment of inflammation WEIER RICHARD M (US) 1997-11-11 US disclosed