SCHEMBL20256754

SCHEMBL20256754

NC(N)c1cc(Br)ccc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.40
DGAT1 O75907 1/20 0.39
KDM1A O60341 2/20 0.37
KDM1B Q8NB78 1/20 0.37
APLNR P35414 4/20 0.36
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
BCL2 P10415 1/20 0.32
MCL1 Q07820 1/20 0.32
ALDH1A1 P00352 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
PYCR1 P32322 1/20 0.32
POLB P06746 1/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL20238210 0.83 PDE2A (0.43) DPP4DGAT1KDM1AKDM1BAPLNR
SCHEMBL14987514 0.83 PDE2A (0.43) DPP4DGAT1KDM1AKDM1BAPLNR
SCHEMBL18449424 0.83 PDE2A (0.43) DPP4DGAT1KDM1AKDM1BAPLNR
SCHEMBL248835 0.81 DGAT1 (0.38) DPP4DGAT1KDM1AKDM1BAPLNR
SCHEMBL29604357 0.81 DGAT1 (0.38) DPP4DGAT1KDM1AKDM1BAPLNR
Hydrochloric Acid SCHEMBL20238110 0.81 PDE2A (0.42) DPP4DGAT1KDM1AKDM1BAPLNR
SCHEMBL18449718 0.81 DPP4 (0.37) DPP4DGAT1KDM1AKDM1BAPLNR
Hydrochloric Acid SCHEMBL18449516 0.81 PDE2A (0.42) DPP4DGAT1KDM1AKDM1BAPLNR
SCHEMBL18449939 0.81 DPP4 (0.37) DPP4DGAT1KDM1AKDM1BAPLNR
SCHEMBL18488024 0.81 DPP4 (0.37) DPP4DGAT1KDM1AKDM1BAPLNR

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-2018106284-A1 BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2018-06-14 WO disclosed