SCHEMBL30823795

SCHEMBL30823795

N=C1NC(=O)c2cccc(Cc3ccccc3Cl)c21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.39
NSD2 O96028 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
APAF1 O14727 1/20 0.39
TDP2 O95551 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
SAE1 Q9UBE0 1/20 0.39
UBA2 Q9UBT2 1/20 0.39
CES1 P23141 2/20 0.38
BCHE P06276 1/20 0.38
CASP3 P42574 1/20 0.38
AR P10275 1/20 0.38
GSK3B P49841 3/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
STK10 O94804 2/20 0.35
SLK Q9H2G2 2/20 0.35

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
SCHEMBL10339318 0.86 GSK3B (0.44) DAONSD2MAPTKMT2AAPAF1
SCHEMBL30823794 0.82 DAO (0.39) DAOMAPTKMT2AALDH1A1CASP3
SCHEMBL11260054 0.81 CES1 (0.47) DAONSD2ALDH1A1CES1BCHE
SCHEMBL18668894 0.74 CES1 (0.41) DAONSD2MAPTKMT2AAPAF1
SCHEMBL10713059 0.73 GSK3B (0.50) MAPTKMT2AALDH1A1CASP3GSK3B
SCHEMBL4515814 0.71 GSK3B (0.44) KMT2AALDH1A1CASP3GSK3BKDM4E
SCHEMBL11259415 0.71 CES1 (0.47) DAONSD2CES1BCHEGSK3B
SCHEMBL30823796 0.70 PKM (0.45) MAPTKMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL30823793 0.70 CA2 (0.45) DAOMAPTKMT2AALDH1A1GSK3B
SCHEMBL9084451 0.69 FABP4 (0.48) MAPTKMT2AALDH1A1KDM4ELMNA

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-117756700-A Method for preparing 3-imine isoindolone through visible light-induced debromination cyclization reaction 桂林理工大学 2024-03-26 CN disclosed