SCHEMBL22912688

SCHEMBL22912688

O=C(N[S+]([O-])C1CC1)c1cc(C2CC2)c(COc2cc(Cl)cc(Cl)c2)cc1F

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 17/20 0.66
▸ SCN5A Q14524 8/20 0.39
▸ SCN7A Q01118 6/20 0.39
▸ SCN1A P35498 2/20 0.38
▸ SCN2A Q99250 2/20 0.38
▸ SCN2B O60939 1/20 0.37
▸ SCN4A P35499 1/20 0.37
▸ SCN1B Q07699 1/20 0.37
▸ SCN8A Q9UQD0 1/20 0.37

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
SCHEMBL17423019 0.82 SCN9A (0.82) SCN9ASCN5ASCN7ASCN1ASCN2A
SCHEMBL15543308 0.81 SCN9A (0.80) SCN9ASCN5ASCN7ASCN1ASCN2A
SCHEMBL19429993 0.80 SCN9A (1.00) SCN9ASCN5ASCN7ASCN1ASCN2A
SCHEMBL19411391 0.79 SCN9A (0.73) SCN9ASCN5ASCN7A
SCHEMBL18570786 0.77 SCN9A (0.74) SCN9ASCN5ASCN7ASCN1ASCN2A
SCHEMBL15543981 0.76 SCN9A (1.00) SCN9ASCN5ASCN7ASCN1ASCN2A
SCHEMBL15599293 0.76 SCN9A (0.71) SCN9ASCN5ASCN7ASCN1ASCN2A
SCHEMBL23677146 0.75 SCN9A (0.67) SCN9ASCN5ASCN7ASCN1ASCN2A
SCHEMBL18570787 0.75 SCN9A (0.70) SCN9ASCN5ASCN7ASCN1ASCN2A
SCHEMBL28844267 0.74 SCN9A (0.69) SCN9ASCN5ASCN7ASCN1ASCN2A

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
EP-3436432-B1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH INC (US) 2021-01-27 — — EP disclosed
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