SCHEMBL10380265

SCHEMBL10380265

Cc1nn(-c2cnc(OCC(C)C)c(Cl)c2)c2ccc(C(=O)NS(=O)(=O)C(F)(F)F)cc12

nearest known ligand 0.82

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 20/20 0.82
SCN5A Q14524 15/20 0.50
CYP2C8 P10632 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2B6 P20813 1/20 0.49
CYP2C19 P33261 1/20 0.49
SCN4A P35499 1/20 0.49
SCN2A Q99250 1/20 0.49

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
SCHEMBL10380147 0.91 SCN9A (0.81) SCN9ASCN5ACYP2C8CYP2C9CYP2B6
Pf-05241328 SCHEMBL30275387 0.90 SCN9A (1.00) SCN9ASCN5ACYP2C8CYP2C9CYP2B6
Pf-05241328 SCHEMBL10324699 0.90 SCN9A (1.00) SCN9ASCN5ACYP2C8CYP2C9CYP2B6
SCHEMBL22484359 0.88 SCN9A (0.83) SCN9ASCN5ACYP2C8CYP2C9CYP2B6
SCHEMBL10324973 0.84 SCN9A (0.76) SCN9ASCN5ACYP2C8CYP2C9CYP2B6
SCHEMBL10379941 0.82 SCN9A (0.76) SCN9ASCN5ACYP2C8CYP2C9CYP2B6
SCHEMBL10379156 0.81 SCN9A (0.83) SCN9ASCN5ACYP2C8CYP2C9CYP2B6
SCHEMBL10378866 0.81 SCN9A (0.83) SCN9ASCN5ACYP2C8CYP2C9CYP2B6
SCHEMBL10380388 0.80 SCN9A (0.81) SCN9ASCN5ACYP2C8CYP2C9CYP2B6
SCHEMBL10326013 0.79 SCN9A (0.79) SCN9ASCN5ACYP2C8CYP2C9CYP2B6

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-2012095781-A1 INDAZOLE DERIVATIVES AS SODIUM CHANNEL INHIBITORS PFIZER LIMITED (GB) 2012-07-19 WO disclosed