SCHEMBL25830682

SCHEMBL25830682

O=c1c2ccc3c(c4ccccc4n3-c3ccccc3)c2c2c3c4ccccc4n(-c4ccccc4)c3ccc2n1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
KDM4E B2RXH2 2/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 3/20 0.39
MAPK1 P28482 2/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
PGR P06401 2/20 0.38
ALDH1A1 P00352 3/20 0.37
POLB P06746 2/20 0.37
HKDC1 Q2TB90 1/20 0.37
TSHR P16473 1/20 0.37
BRCA1 P38398 1/20 0.37
HSD17B10 Q99714 1/20 0.37
RXFP1 Q9HBX9 2/20 0.36
HSP90AA1 P07900 1/20 0.36
MAPT P10636 1/20 0.36
MAPK8 P45983 1/20 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
SCHEMBL12690994 0.88 L3MBTL1 (0.49) KMT2AKDM4EATML3MBTL1MEN1
SCHEMBL12131955 0.87 L3MBTL1 (0.50) KMT2AKDM4EATML3MBTL1MEN1
SCHEMBL25830604 0.87 KMT2A (0.42) KMT2AKDM4EATML3MBTL1MEN1
SCHEMBL23598390 0.86 L3MBTL1 (0.49) KMT2AKDM4EATML3MBTL1MEN1
SCHEMBL17995357 0.86 L3MBTL1 (0.49) KMT2AKDM4EATML3MBTL1MEN1
SCHEMBL14933377 0.85 KMT2A (0.44) KMT2AKDM4EATML3MBTL1MEN1
SCHEMBL17248190 0.84 L3MBTL1 (0.47) KMT2AKDM4EATML3MBTL1MEN1
SCHEMBL21365509 0.84 L3MBTL1 (0.47) KMT2AKDM4EATML3MBTL1MEN1
SCHEMBL19769803 0.84 L3MBTL1 (0.47) KMT2AKDM4EATML3MBTL1MEN1
SCHEMBL15073468 0.84 L3MBTL1 (0.47) KMT2AKDM4EATML3MBTL1MEN1

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