SCHEMBL25829952

SCHEMBL25829952

O=c1c2cc3c(cc2c2cc4c5ccccc5n(-c5ccccc5)c4cc2n1-c1ccccc1)c1ccccc1n3-c1nc(-c2ccccc2)c2ccc3ccccc3c2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.39
KDM4E B2RXH2 2/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP1A2 P05177 4/20 0.34
CYP2C9 P11712 3/20 0.34
CYP2C19 P33261 3/20 0.34
ALDH1A1 P00352 4/20 0.33
MEN1 O00255 3/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33
BRCA1 P38398 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAT2A P31153 1/20 0.32
PGR P06401 3/20 0.32
CYP3A4 P08684 2/20 0.32
MAPK8 P45983 2/20 0.32
GLA P06280 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
SCHEMBL25838088 0.96 KMT2A (0.38) KMT2AKDM4EATML3MBTL1CYP1A2
SCHEMBL21281904 0.92 L3MBTL1 (0.42) KMT2AKDM4EATML3MBTL1CYP1A2
SCHEMBL23026933 0.91 L3MBTL1 (0.43) KMT2AKDM4EATML3MBTL1CYP1A2
SCHEMBL24597905 0.88 KMT2A (0.35) KMT2AKDM4EATML3MBTL1CYP1A2
SCHEMBL18026401 0.88 ALDH1A1 (0.35) KMT2AKDM4EATML3MBTL1CYP1A2
SCHEMBL25829808 0.87 KMT2A (0.43) KMT2AKDM4EATML3MBTL1ALDH1A1
SCHEMBL22869097 0.86 KDM4E (0.37) KDM4EATML3MBTL1ALDH1A1HPGD
SCHEMBL22868687 0.86 KDM4E (0.35) KMT2AKDM4EATML3MBTL1ALDH1A1
SCHEMBL24027752 0.86 L3MBTL1 (0.34) KDM4EATML3MBTL1CYP1A2ALDH1A1
SCHEMBL17829100 0.85 L3MBTL1 (0.42) KMT2AKDM4EATML3MBTL1CYP1A2

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-2023110742-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2023-06-22 WO disclosed