SCHEMBL28334658

SCHEMBL28334658

C=NN=C(Cl)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.37
ALDH1A1 P00352 3/20 0.35
CES2 O00748 3/20 0.35
CES1 P23141 3/20 0.35
DAO P14920 1/20 0.35
TSHR P16473 1/20 0.35
NAPRT Q6XQN6 1/20 0.35
ESR1 P03372 1/20 0.34
HIF1A Q16665 2/20 0.33
TRPA1 O75762 1/20 0.33
MAPK1 P28482 1/20 0.33
GSK3B P49841 1/20 0.33
DEPTOR Q8TB45 1/20 0.33
AKT1 P31749 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NR4A2 P43354 1/20 0.32

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
SCHEMBL459784 0.85 ATM (0.42) ATMALDH1A1CES2CES1DAO
SCHEMBL459783 0.85 ATM (0.42) ATMALDH1A1CES2CES1DAO
SCHEMBL2744683 0.73 MAPT (0.43) ALDH1A1CES2CES1MAPK1CYP1A2
SCHEMBL10111192 0.73 MAPT (0.43) ALDH1A1CES2CES1MAPK1CYP1A2
SCHEMBL518985 0.72 GAA (0.43) ATMALDH1A1CES2CES1DAO
SCHEMBL5352771 0.72 F2 (0.42) ATMALDH1A1CES2CES1DAO
SCHEMBL404866 0.72 GAA (0.43) ATMALDH1A1CES2CES1DAO
SCHEMBL404865 0.72 GAA (0.43) ATMALDH1A1CES2CES1DAO
SCHEMBL18992194 0.71 TDP1 (0.43) ATMALDH1A1CES2CES1DAO
SCHEMBL18992193 0.71 TDP1 (0.43) ATMALDH1A1CES2CES1DAO

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
CN-107359260-B Light-emitting element, light-emitting device, display device, electronic device, and lighting device 株式会社半导体能源研究所 2019-12-20 CN disclosed