SCHEMBL11250201

SCHEMBL11250201

Clc1nc(NCCOc2ccccc2)c2ccccc2n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.63
GBA1 P04062 6/20 0.59
PDE5A O76074 1/20 0.58
PIK3CD O00329 1/20 0.54
PIK3R1 P27986 1/20 0.54
CYP1A2 P05177 4/20 0.50
CYP3A4 P08684 4/20 0.50
CYP2C19 P33261 2/20 0.50
MAPK1 P28482 1/20 0.50
CLK4 Q9HAZ1 1/20 0.50
ALDH1A1 P00352 3/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CYP2D6 P10635 2/20 0.47
ALOX15 P16050 2/20 0.47
TSHR P16473 1/20 0.47
LDHA P00338 1/20 0.46
KDM4E B2RXH2 3/20 0.45
HSD17B10 Q99714 2/20 0.45
MAPT P10636 2/20 0.45

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
SCHEMBL11245206 0.96 APP (0.62) APPGBA1PDE5APIK3CDPIK3R1
SCHEMBL11251275 0.91 GBA1 (0.63) APPGBA1PDE5APIK3CDPIK3R1
SCHEMBL11254689 0.89 MEN1 (0.59) APPGBA1PDE5APIK3CDPIK3R1
SCHEMBL11245481 0.88 APP (0.53) APPGBA1PDE5APIK3CDPIK3R1
SCHEMBL11252575 0.87 APP (0.55) APPGBA1PDE5APIK3CDPIK3R1
SCHEMBL11264896 0.85 APP (0.59) APPGBA1PDE5ACYP1A2CYP3A4
SCHEMBL11250518 0.84 DRD2 (0.53) APPGBA1PDE5ACYP1A2CYP3A4
SCHEMBL8897898 0.84 CYP1A2 (0.68) APPPDE5ACYP1A2CYP3A4CYP2C19
SCHEMBL11255864 0.83 APP (0.56) APPGBA1PDE5ACYP1A2CYP3A4
SCHEMBL11251043 0.83 APP (0.56) APPGBA1PDE5ACYP1A2CYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4323680-A 4-Aminoquinazoline compounds useful as agricultural fungicides SANKYO COMPANY LIMITED (JP) 1982-04-06 US disclosed
US-4213987-A 4-AMINOQUINAZOLINES SANKYO COMPANY LIMITED (JP) 1980-07-22 US disclosed