SCHEMBL25829806

SCHEMBL25829806

O=c1c2cc3c(cc2c2cc4c5ccccc5n(-c5ccccc5)c4cc2n1-c1ccccc1)c1cc(-c2nc(-c4ccccc4)nc(-c4ccccc4)n2)ccc1n3-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.45
KDM4E B2RXH2 2/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PTGER4 P35408 1/20 0.39
MEN1 O00255 4/20 0.38
ALDH1A1 P00352 3/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.38
BRCA1 P38398 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPT P10636 2/20 0.38
HSP90AA1 P07900 1/20 0.38
MAPK1 P28482 1/20 0.37
CYP1A2 P05177 1/20 0.37
GLA P06280 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL23259635 0.93 MAPK1 (0.43) KMT2AKDM4EATML3MBTL1PTGER4
SCHEMBL25837693 0.93 KMT2A (0.45) KMT2AKDM4EATML3MBTL1MEN1
SCHEMBL25829514 0.92 KMT2A (0.46) KMT2AKDM4EATML3MBTL1MEN1
SCHEMBL23260012 0.92 L3MBTL1 (0.45) KMT2AKDM4EATML3MBTL1PTGER4
SCHEMBL25830148 0.91 KMT2A (0.38) KMT2AKDM4EATML3MBTL1PTGER4
SCHEMBL25829516 0.91 KMT2A (0.47) KMT2AKDM4EATML3MBTL1MEN1
SCHEMBL25829519 0.91 KMT2A (0.44) KMT2AKDM4EATML3MBTL1MEN1
SCHEMBL23260014 0.89 MAPK1 (0.48) KMT2AKDM4EATML3MBTL1PTGER4
SCHEMBL23260013 0.89 MAPK1 (0.48) KMT2AKDM4EATML3MBTL1PTGER4
SCHEMBL25830146 0.89 KMT2A (0.50) KMT2AKDM4EATML3MBTL1PTGER4

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