SCHEMBL7665809

SCHEMBL7665809

C=CCn1nc(Oc2ccccc2)c(-c2ccc(F)cc2)c1-c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.54
PTGS1 P23219 2/20 0.44

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
SCHEMBL7665804 0.89 PTGS2 (0.43) PTGS2PTGS1
SCHEMBL7535016 0.85 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL7779716 0.79 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL7566830 0.77 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL7539374 0.74 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL7670248 0.71 PTGS2 (0.45) PTGS2PTGS1
SCHEMBL7482340 0.70 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL251700 0.70 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL7780570 0.70 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL7674621 0.70 PTGS2 (0.46) 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-6472416-B1 Sulfonylphenylpyrazole compounds useful as COX-2 inhibitors ABBOTT LABORATORIES 2002-10-29 US disclosed