SCHEMBL19634104

SCHEMBL19634104

COc1ccc(CN(Sc2cc(Cl)c(OC3CCN(C(C)(C)c4ccccc4)CC3)cc2F)c2nccs2)c(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 19/20 0.52
SCN1A P35498 17/20 0.52
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL19634143 0.87 SCN8A (0.51) SCN8ASCN1A
SCHEMBL19613397 0.85 SCN8A (0.60) SCN8ASCN1A
SCHEMBL19634139 0.85 MAPT (0.39) SCN8ASCN1AMEN1KMT2A
SCHEMBL19627628 0.81 SCN8A (0.59) SCN8ASCN1A
SCHEMBL19634090 0.79 HTR2A (0.38) SCN1AMEN1KMT2A
SCHEMBL20095534 0.77 HTR2A (0.36) SCN1AMEN1KMT2A
SCHEMBL20256208 0.77 MEN1 (0.37) SCN1AMEN1KMT2A
SCHEMBL20256130 0.75 CYP1A2 (0.37) SCN8ASCN1AMEN1KMT2A
SCHEMBL19633931 0.75 SCN8A (0.71) SCN8ASCN1A
SCHEMBL20256513 0.75 SCN1A (0.44) SCN8ASCN1AMEN1KMT2A

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-2017201468-A1 BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2017-11-23 WO disclosed