SCHEMBL19634053

SCHEMBL19634053

COc1ccc(CN(Sc2ccc(OC3CCN(Cc4ccccc4)CC3)c(Cl)c2)c2ccncn2)c(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 6/20 0.42
SCN1A P35498 4/20 0.42
SIGMAR1 Q99720 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
MAPT P10636 1/20 0.37
KDM1A O60341 1/20 0.37
RCOR1 Q9UKL0 1/20 0.37
SCN9A Q15858 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
SCHEMBL19634144 0.88 SCN8A (0.51) SCN8ASCN1AGAATSHR
SCHEMBL19631790 0.83 SCN8A (0.51) SCN8ASCN1A
SCHEMBL19634068 0.77 MEN1 (0.38) GAATSHRKMT2AKDM4EALDH1A1
SCHEMBL19634129 0.75 SCN8A (0.47) SCN8ASCN1ASIGMAR1GAATSHR
SCHEMBL19634331 0.73 SCN8A (0.52) SCN8ASCN1A
SCHEMBL19631649 0.73 SCN8A (0.51) SCN8ASCN1A
SCHEMBL19633913 0.72 SCN8A (0.49) SCN8ASCN1ASMN1; SMN2GAASCN9A
SCHEMBL19634127 0.72 SCN8A (0.48) SCN8ASCN1ASIGMAR1GAAKMT2A
SCHEMBL19614231 0.72 SCN8A (0.61) SCN8ASCN1A
SCHEMBL19613503 0.72 SCN8A (0.61) SCN8ASCN1A

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