SCHEMBL8093715

SCHEMBL8093715

N#Cc1cc(-c2ccc(S(N)(=O)=O)cc2)c(-c2ccc(F)cc2)nc1OCC(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 9/20 0.46
PTGS2 P35354 5/20 0.42
PTGS1 P23219 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA9 Q16790 3/20 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
SCHEMBL8094998 0.91 PTGS2 (0.52) CNR1PTGS2PTGS1MEN1KMT2A
SCHEMBL8093875 0.86 CNR1 (0.64) CNR1PTGS2PTGS1CA12CA1
SCHEMBL8093983 0.85 CNR1 (0.44) CNR1PTGS2PTGS1L3MBTL1CA12
SCHEMBL8095521 0.85 CNR1 (0.52) CNR1PTGS2PTGS1CA12CA1
SCHEMBL8093864 0.85 CA9 (0.44) PTGS2PTGS1CA12CA1CA2
SCHEMBL8094551 0.84 CNR1 (0.49) CNR1PTGS2PTGS1MEN1KMT2A
SCHEMBL8093490 0.84 ALDH1A1 (0.51) MEN1KMT2ANPSR1ALDH1A1CA12
SCHEMBL8776744 0.84 SQOR (0.46) CNR1PTGS2PTGS1MEN1KMT2A
SCHEMBL8086461 0.83 CNR1 (0.61) CNR1PTGS2PTGS1CA12CA1
SCHEMBL8093429 0.82 CNR1 (0.44) CNR1PTGS2PTGS1ALDH1A1CA12

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
EP-0808304-A1 2,3-SUBSTITUTED PYRIDINES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-11-26 EP disclosed
WO-1996024584-A1 2,3-SUBSTITUTED PYRIDINES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-08-15 WO disclosed