SCHEMBL25837693

SCHEMBL25837693

O=c1c2cc3c(cc2c2cc4c5ccccc5n(-c5ccccc5)c4cc2n1-c1ccccc1)c1ccccc1n3-c1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1

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
MEN1 O00255 4/20 0.41
GAA P10253 2/20 0.41
PDE10A Q9Y233 1/20 0.40
ALDH1A1 P00352 4/20 0.38
HSD17B10 Q99714 2/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.38
BRCA1 P38398 1/20 0.38
RXFP1 Q9HBX9 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
SCHEMBL25829806 0.93 KMT2A (0.45) KMT2AKDM4EATML3MBTL1MEN1
SCHEMBL25829514 0.92 KMT2A (0.46) KMT2AKDM4EATML3MBTL1MEN1
SCHEMBL25829519 0.91 KMT2A (0.44) KMT2AKDM4EATML3MBTL1MEN1
SCHEMBL25829516 0.91 KMT2A (0.47) KMT2AKDM4EATML3MBTL1MEN1
SCHEMBL25966422 0.90 L3MBTL1 (0.51) KMT2AKDM4EATML3MBTL1MEN1
SCHEMBL9889049 0.90 L3MBTL1 (0.51) KMT2AKDM4EATML3MBTL1MEN1
SCHEMBL23260012 0.89 L3MBTL1 (0.45) KMT2AKDM4EATML3MBTL1MEN1
SCHEMBL25837579 0.89 KMT2A (0.50) KMT2AKDM4EATML3MBTL1MEN1
SCHEMBL25829197 0.89 KMT2A (0.50) KMT2AKDM4EATML3MBTL1MEN1
SCHEMBL25829302 0.89 KMT2A (0.50) 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