SCHEMBL19633964

SCHEMBL19633964

COc1ccc(CN(Sc2cc(Cl)c(OP3CCN(C(=O)OC(C)(C)C)C3)cc2F)c2cscn2)c(OC)c1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.34
P2RX3 P56373 1/20 0.34
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
EPHX2 P34913 1/20 0.31
KDM4E B2RXH2 1/20 0.31
KDM1A O60341 1/20 0.30
SCN8A Q9UQD0 1/20 0.30
SUV39H2 Q9H5I1 1/20 0.30
SCN9A Q15858 1/20 0.30
PGK1 P00558 1/20 0.30
GALR2 O43603 1/20 0.30
GALR1 P47211 1/20 0.30

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
SCHEMBL19634133 0.77 HTR2A (0.38) MAPTMEN1KMT2AKDM4ESCN8A
SCHEMBL19634248 0.74 KDM4E (0.36) MAPTMEN1KMT2AKDM4ESCN8A
SCHEMBL19634139 0.73 MAPT (0.39) MAPTP2RX3MEN1KMT2AEPHX2
SCHEMBL22646292 0.72 P2RX3 (0.40) MAPTP2RX3KDM4ESCN8ASCN9A
SCHEMBL19633963 0.71 SCN8A (0.42) MAPTP2RX3SCN8ASCN9A
SCHEMBL19614151 0.71 SCN8A (0.42) MAPTP2RX3SCN8ASCN9A
SCHEMBL21117671 0.71 SCN1A (0.41) MAPTP2RX3EPHX2SCN8ASCN9A
SCHEMBL19634333 0.70 SCN1A (0.33) KDM4ESCN8A
SCHEMBL19634257 0.70 SCN8A (0.39) SCN8A
SCHEMBL20256322 0.68 SCN8A (0.51) SCN8ASCN9A

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