SCHEMBL25829519

SCHEMBL25829519

O=c1c2cc3c(cc2c2cc4c5ccccc5n(-c5ccccc5)c4cc2n1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1)c1ccccc1n3-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.44
KDM4E B2RXH2 2/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPK1 P28482 2/20 0.39
PGR P06401 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 4/20 0.38
GAA P10253 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 2/20 0.37
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.37
BRCA1 P38398 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
MAPT P10636 2/20 0.36
HSP90AA1 P07900 1/20 0.36
LMNA P02545 1/20 0.36
MAPK8 P45983 2/20 0.36

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
SCHEMBL25829514 0.96 KMT2A (0.46) KMT2AKDM4EATML3MBTL1MAPK1
SCHEMBL25829516 0.95 KMT2A (0.47) KMT2AKDM4EATML3MBTL1MAPK1
SCHEMBL23260012 0.91 L3MBTL1 (0.45) KMT2AKDM4EATML3MBTL1MAPK1
SCHEMBL25829806 0.91 KMT2A (0.45) KMT2AKDM4EATML3MBTL1MAPK1
SCHEMBL25837693 0.91 KMT2A (0.45) KMT2AKDM4EATML3MBTL1MAPK1
SCHEMBL16940885 0.90 L3MBTL1 (0.49) KMT2AKDM4EATML3MBTL1MAPK1
SCHEMBL23260014 0.89 MAPK1 (0.48) KMT2AKDM4EATML3MBTL1MAPK1
SCHEMBL23260013 0.89 MAPK1 (0.48) KMT2AKDM4EATML3MBTL1MAPK1
SCHEMBL25829959 0.89 KMT2A (0.36) KMT2AKDM4EATML3MBTL1NPC1
SCHEMBL25828898 0.89 KMT2A (0.41) KMT2AKDM4EATML3MBTL1MAPK1

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