SCHEMBL3782018

SCHEMBL3782018

N#Cc1ccc2nc(C(F)(F)F)cn2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.49
CSNK1D P48730 1/20 0.47
CSNK1G2 P78368 1/20 0.47
APP P05067 1/20 0.47
ALDH1A3 P47895 2/20 0.42
KIF11 P52732 1/20 0.37
AHR P35869 2/20 0.36
KDM4E B2RXH2 2/20 0.35
NPC1 O15118 2/20 0.35
ALDH1A1 P00352 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MCHR1 Q99705 2/20 0.34
GRM5 P41594 1/20 0.34
TRPA1 O75762 1/20 0.34
METTL3 Q86U44 1/20 0.34
CYP11B2 P19099 1/20 0.34

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
SCHEMBL10311039 0.83 CSNK1D (0.57) SCN5ACSNK1DCSNK1G2APPALDH1A3
SCHEMBL16761383 0.78 HDAC4 (0.42) SCN5AALDH1A3KIF11KDM4EALDH1A1
SCHEMBL12056714 0.75 SCN5A (0.54) SCN5AAPPALDH1A3KDM4ENPC1
SCHEMBL18080888 0.74 SCN5A (0.53) SCN5AAPPKIF11KDM4ENPC1
SCHEMBL18443123 0.74 APP (0.54) CSNK1DCSNK1G2APPALDH1A3AHR
SCHEMBL10053493 0.74 APP (0.54) CSNK1DCSNK1G2APPALDH1A3AHR
SCHEMBL13469261 0.74 APP (0.50) CSNK1DCSNK1G2APPALDH1A3AHR
SCHEMBL8812209 0.74 SCN5A (0.53) SCN5AAPPALDH1A3KDM4ENPC1
SCHEMBL2118968 0.74 SCN5A (0.53) SCN5AKDM4ENPC1ALDH1A1RAB9A
SCHEMBL516957 0.74 PIK3CG (0.55) SCN5AAPPAHRKDM4ENPC1

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-2010091411-A1 PIPERIDINYL CYCLIC AMIDO ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2010-08-12 WO disclosed