SCHEMBL8631056

SCHEMBL8631056

CS(=O)(=O)c1ccc(-c2nn(CC#N)c(OC=O)c2-c2ccc(Cl)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 18/20 0.43
PTGS1 P23219 5/20 0.39

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
SCHEMBL8631811 0.91 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL8627984 0.87 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL8631714 0.84 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL7777630 0.83 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL8627997 0.82 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL7779292 0.82 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL8627891 0.81 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL7778000 0.80 PTGS2 (0.45) PTGS2PTGS1
SCHEMBL7779742 0.79 PTGS2 (0.44) PTGS2PTGS1
SCHEMBL7780138 0.79 PTGS2 (0.62) 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
US-5756530-A NON-STEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS G. D. SEARLE & CO. (US) 1998-05-26 US disclosed