SCHEMBL19634067

SCHEMBL19634067

COc1ccc(CN(Sc2ccc(N(C)C3CCN(Cc4ccccc4)C3)c(Cl)c2)c2ncns2)c(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 19/20 0.50
SCN1A P35498 13/20 0.45
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL19634127 0.85 SCN8A (0.48) SCN8ASCN1AMEN1ALDH1A1KMT2A
SCHEMBL19613751 0.84 SCN8A (0.59) SCN8ASCN1A
SCHEMBL19613752 0.84 SCN8A (0.59) SCN8ASCN1A
SCHEMBL19634129 0.84 SCN8A (0.47) SCN8ASCN1AKDM4EMEN1ALDH1A1
SCHEMBL19614031 0.75 SCN8A (0.63) SCN8ASCN1A
SCHEMBL19614029 0.75 SCN8A (0.63) SCN8ASCN1A
SCHEMBL19613703 0.75 SCN8A (0.54) SCN8ASCN1A
SCHEMBL19613705 0.75 SCN8A (0.54) SCN8ASCN1A
SCHEMBL19634196 0.74 SCN8A (0.69) SCN8ASCN1A
SCHEMBL22088316 0.72 CYP1A2 (0.36) KDM4EMEN1ALDH1A1KMT2ANPSR1

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