SCHEMBL28074465

SCHEMBL28074465

C[CH]Cc1cc(Cl)ccc1Oc1cc(F)c(S(=O)(=O)N(C(=O)OC(C)(C)C)c2cscn2)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 18/20 0.41
SCN5A Q14524 4/20 0.40
CYP2C9 P11712 3/20 0.40
CYP3A4 P08684 1/20 0.40
SCN8A Q9UQD0 3/20 0.40
SCN1A P35498 2/20 0.39
SCN2B O60939 1/20 0.39
SCN4A P35499 1/20 0.39
SCN7A Q01118 1/20 0.39
SCN1B Q07699 1/20 0.39
SLC22A12 Q96S37 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN3A Q9NY46 1/20 0.39

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
SCHEMBL16094574 0.86 SCN9A (0.41) SCN9ASCN5ACYP2C9CYP3A4SCN8A
SCHEMBL16094579 0.85 SCN9A (0.40) SCN9ASCN5ACYP2C9CYP3A4SCN8A
SCHEMBL17509683 0.85 SCN9A (0.40) SCN9ASCN5ACYP2C9CYP3A4SCN8A
SCHEMBL17961886 0.84 SCN9A (0.40) SCN9ASCN5ACYP2C9CYP3A4SCN8A
SCHEMBL17509681 0.84 SCN9A (0.40) SCN9ASCN5ACYP2C9CYP3A4SCN8A
SCHEMBL16120744 0.84 SCN9A (0.40) SCN9ASCN5ACYP2C9CYP3A4SCN8A
SCHEMBL17523542 0.84 SCN9A (0.39) SCN9ASCN5ACYP2C9CYP3A4SCN8A
SCHEMBL16094667 0.82 SCN9A (0.40) SCN9ASCN5ACYP2C9CYP3A4SCN8A
SCHEMBL16094614 0.81 SCN9A (0.39) SCN9ASCN5ACYP2C9CYP3A4SCN8A
SCHEMBL16094619 0.81 SCN9A (0.39) SCN9ASCN5ACYP2C9CYP3A4SCN8A

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
CN-105611923-A Sodium channel modulators for the treatment of pain and diabetes CHROMOCELL CORP 2016-05-25 CN disclosed