SCHEMBL19633978

SCHEMBL19633978

COc1ccc(CN(Sc2ccc(F)c(Cl)c2)c2nccs2)c(OC)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
MAPT P10636 1/20 0.38
KDM4E B2RXH2 1/20 0.36
SCN1A P35498 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN3A Q9NY46 1/20 0.36
TSHR P16473 4/20 0.36
GAA P10253 2/20 0.36
HTR2A P28223 1/20 0.35
SLC6A4 P31645 1/20 0.35
KCNH2 Q12809 1/20 0.35
KDR P35968 2/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35
FBP1 P09467 1/20 0.34
CYP1A2 P05177 3/20 0.33
CYP3A4 P08684 3/20 0.33
CYP2D6 P10635 3/20 0.33

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
SCHEMBL20256536 0.90 MEN1 (0.37) MEN1KMT2AKDM4ESCN1ASCN2A
SCHEMBL19634093 0.89 MEN1 (0.36) MEN1KMT2AKDM4ESCN1ASCN2A
SCHEMBL19634063 0.89 MEN1 (0.36) MEN1KMT2AMAPTKDM4ESCN1A
SCHEMBL20182504 0.87 GAA (0.41) MEN1KMT2AKDM4ESCN1ASCN2A
SCHEMBL19634090 0.87 HTR2A (0.38) MEN1KMT2AMAPTKDM4ESCN1A
SCHEMBL20256546 0.84 KDM4E (0.36) MEN1KMT2AMAPTKDM4ESCN1A
SCHEMBL20256716 0.83 CYP1A2 (0.39) MEN1KMT2AMAPTKDM4ETSHR
SCHEMBL20095534 0.83 HTR2A (0.36) MEN1KMT2AMAPTKDM4ESCN1A
SCHEMBL20256506 0.82 MEN1 (0.38) MEN1KMT2AKDM4ESCN1ASCN2A
SCHEMBL19634121 0.82 MEN1 (0.36) MEN1KMT2AKDM4ESCN1ASCN2A

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