SCHEMBL805997

SCHEMBL805997

CN(c1ccccc1)c1cc(C(N)=O)nc(-c2ccc(Oc3ccc(N)cc3)cc2)c1

nearest known ligand 0.82

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 17/20 0.82
ALDH1A1 P00352 1/20 0.47
GLA P06280 1/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MCL1 Q07820 2/20 0.46

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
SCHEMBL29421429 0.90 SCN9A (1.00) SCN9A
SCHEMBL787559 0.90 SCN9A (1.00) SCN9A
SCHEMBL787336 0.87 SCN9A (1.00) SCN9A
SCHEMBL787334 0.87 SCN9A (1.00) SCN9A
SCHEMBL805932 0.82 SCN9A (0.82) SCN9AMCL1
SCHEMBL787511 0.81 SCN9A (0.83) SCN9A
SCHEMBL29421490 0.81 SCN9A (1.00) SCN9AMCL1
SCHEMBL788021 0.81 SCN9A (1.00) SCN9AMCL1
SCHEMBL17082881 0.74 SCN9A (1.00) SCN9A
SCHEMBL787201 0.74 SCN9A (0.89) SCN9A

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
WO-2012035421-A2 PYRIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. (US) 2012-03-22 WO disclosed