SCHEMBL10326013

SCHEMBL10326013

CC(C)COc1ncc(-n2nc(C3CC3)c3cc(C(=O)NS(C)(=O)=O)ccc32)cc1Cl

nearest known ligand 0.79

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 20/20 0.79
SCN5A Q14524 13/20 0.58
CYP2C9 P11712 2/20 0.57
CYP2C8 P10632 1/20 0.57
CYP2B6 P20813 1/20 0.57
CYP2C19 P33261 1/20 0.57
SCN4A P35499 1/20 0.57
SCN2A Q99250 1/20 0.57
CYP3A4 P08684 1/20 0.53

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
Pf-05241328 SCHEMBL10324699 0.88 SCN9A (1.00) SCN9ASCN5ACYP2C9CYP2C8CYP2B6
Pf-05241328 SCHEMBL30275387 0.88 SCN9A (1.00) SCN9ASCN5ACYP2C9CYP2C8CYP2B6
SCHEMBL10379156 0.88 SCN9A (0.83) SCN9ASCN5ACYP2C9CYP2C8CYP2B6
SCHEMBL10378866 0.88 SCN9A (0.83) SCN9ASCN5ACYP2C9CYP2C8CYP2B6
SCHEMBL10324771 0.88 SCN9A (0.60) SCN9ASCN5ACYP2C9CYP2C8CYP2B6
SCHEMBL10324574 0.87 SCN9A (0.59) SCN9ASCN5ACYP2C9CYP2C8CYP2B6
SCHEMBL10380388 0.87 SCN9A (0.81) SCN9ASCN5ACYP2C9CYP2C8CYP2B6
SCHEMBL10379740 0.87 SCN9A (0.77) SCN9ASCN5ACYP2C9CYP2C8CYP2B6
SCHEMBL10380871 0.87 SCN9A (0.60) SCN9ASCN5ACYP2C9CYP2C8CYP2B6
SCHEMBL10325149 0.81 SCN9A (0.73) SCN9ASCN5ACYP2C9CYP2C8CYP2B6

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