SCHEMBL19634129

SCHEMBL19634129

COc1ccc(CN(Sc2ccc(NC3CCN(Cc4ccccc4)CC3)c(Cl)c2)c2ncns2)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 5/20 0.47
SCN1A P35498 3/20 0.47
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SIGMAR1 Q99720 2/20 0.45
EZH2 Q15910 1/20 0.42
NSD2 O96028 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
ACHE P22303 3/20 0.39
BACE1 P56817 2/20 0.39
TSHR P16473 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
EHMT2 Q96KQ7 1/20 0.38
DNMT3A Q9Y6K1 1/20 0.38

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 0.96 SCN8A (0.48) SCN8ASCN1AALDH1A1GAAHSD17B10
SCHEMBL19613611 0.84 SCN8A (0.57) SCN8ASCN1AALDH1A1GAAHSD17B10
SCHEMBL19634067 0.84 SCN8A (0.50) SCN8ASCN1AALDH1A1KMT2AMEN1
SCHEMBL19613747 0.80 SCN8A (0.58) SCN8ASCN1AALDH1A1GAAHSD17B10
SCHEMBL19613992 0.80 SCN8A (0.58) SCN8ASCN1AALDH1A1GAAHSD17B10
SCHEMBL19613745 0.80 SCN8A (0.58) SCN8ASCN1AALDH1A1GAAHSD17B10
SCHEMBL19627624 0.77 SCN8A (0.57) SCN8ASCN1AALDH1A1GAAHSD17B10
SCHEMBL19634053 0.75 SCN8A (0.42) SCN8ASCN1AALDH1A1GAASIGMAR1
SCHEMBL22088316 0.73 CYP1A2 (0.36) ALDH1A1GAAHSD17B10KMT2AMEN1
SCHEMBL19634123 0.73 SCN8A (0.50) SCN8ASCN1AALDH1A1GAASIGMAR1

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