SCHEMBL8093983

SCHEMBL8093983

COC(=O)COc1nc(-c2ccc(F)cc2)c(-c2ccc(S(N)(=O)=O)cc2)cc1C#N

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 8/20 0.44
PTGS2 P35354 5/20 0.44
PTGS1 P23219 3/20 0.44
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA9 Q16790 3/20 0.42
KDM4E B2RXH2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CDK1 P06493 1/20 0.42
KDR P35968 1/20 0.42
AR P10275 1/20 0.41
CHRNA7 P36544 1/20 0.40

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
SCHEMBL8095481 0.91 PTGS2 (0.54) CNR1PTGS2PTGS1KDM4EL3MBTL1
SCHEMBL8776744 0.91 SQOR (0.46) CNR1PTGS2PTGS1CA1CA2
SCHEMBL8094989 0.88 PTGS2 (0.53) CNR1PTGS2PTGS1CA12CA1
SCHEMBL8093429 0.87 CNR1 (0.44) CNR1PTGS2PTGS1CA12CA1
SCHEMBL8094551 0.87 CNR1 (0.49) CNR1PTGS2PTGS1CA12CA1
SCHEMBL8093195 0.86 PTGS2 (0.47) CNR1PTGS2PTGS1CA12CA1
SCHEMBL8093715 0.85 CNR1 (0.46) CNR1PTGS2PTGS1CA12CA1
SCHEMBL8094547 0.85 PTGS2 (0.60) CNR1PTGS2PTGS1CA12CA1
SCHEMBL8086461 0.84 CNR1 (0.61) CNR1PTGS2PTGS1CA12CA1
SCHEMBL8094093 0.84 CNR1 (0.46) CNR1PTGS2PTGS1CA12CA1

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-B1 2,3-SUBSTITUTED PYRIDINES FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2000-12-27 EP disclosed