SCHEMBL8776744

SCHEMBL8776744

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SQOR Q9Y6N5 1/20 0.46
NPSR1 Q6W5P4 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
GPR55 Q9Y2T6 1/20 0.46
PTGS2 P35354 3/20 0.45
PTGS1 P23219 1/20 0.45
CHRNA7 P36544 6/20 0.43
CNR1 P21554 4/20 0.43
KDM4E B2RXH2 4/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA9 Q16790 1/20 0.41
GLA P06280 1/20 0.41
HTT P42858 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
SCHEMBL8094989 0.91 PTGS2 (0.53) SQORNPSR1L3MBTL1MEN1KMT2A
SCHEMBL8093983 0.91 CNR1 (0.44) L3MBTL1PTGS2PTGS1CHRNA7CNR1
SCHEMBL8094551 0.90 CNR1 (0.49) SQORNPSR1L3MBTL1MEN1KMT2A
SCHEMBL8092670 0.86 GLA (0.44) NPSR1L3MBTL1MEN1KMT2AGPR55
SCHEMBL8094547 0.85 PTGS2 (0.60) NPSR1L3MBTL1MEN1KMT2AGPR55
SCHEMBL8095872 0.85 ALDH1A1 (0.55) NPSR1L3MBTL1MEN1KMT2APTGS2
SCHEMBL8095632 0.84 PTGS2 (0.56) PTGS2PTGS1CNR1CA1CA2
SCHEMBL8093429 0.84 CNR1 (0.44) PTGS2PTGS1CNR1CA1CA2
SCHEMBL8093715 0.84 CNR1 (0.46) NPSR1L3MBTL1MEN1KMT2AGPR55
SCHEMBL8092530 0.83 PTGS2 (0.55) NPSR1L3MBTL1MEN1KMT2AGPR55

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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