SCHEMBL25828898

SCHEMBL25828898

O=c1c2cc3c(cc2c2ccc4c5ccccc5n(-c5ccccc5)c4c2n1-c1ccccc1)c1ccccc1n3-c1nc(-c2ccccc2)nc(-c2ccccc2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.41
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 4/20 0.37
GAA P10253 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 1/20 0.36
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 1/20 0.35
PGR P06401 2/20 0.35
MAPK8 P45983 2/20 0.35
MAPK9 P45984 1/20 0.35
POLB P06746 1/20 0.34
TSHR P16473 1/20 0.34
BRCA1 P38398 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
MAPT P10636 2/20 0.34

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
SCHEMBL25829516 0.91 KMT2A (0.47) KMT2ANPC1RAB9AMEN1GAA
SCHEMBL25829514 0.90 KMT2A (0.46) KMT2ANPC1RAB9AMEN1GAA
SCHEMBL16940907 0.90 L3MBTL1 (0.41) KMT2AMEN1GAAKDM4EATM
SCHEMBL16940877 0.90 L3MBTL1 (0.41) KMT2AMEN1GAAKDM4EATM
SCHEMBL14212992 0.90 L3MBTL1 (0.44) KMT2ANPC1RAB9AMEN1GAA
SCHEMBL25829519 0.89 KMT2A (0.44) KMT2ANPC1RAB9AMEN1GAA
SCHEMBL25828900 0.87 ALDH1A1 (0.40) KMT2ANPC1RAB9AMEN1GAA
SCHEMBL22478878 0.87 KMT2A (0.41) KMT2ANPC1RAB9AMEN1GAA
SCHEMBL14213000 0.86 L3MBTL1 (0.46) KMT2ANPC1RAB9AMEN1GAA
SCHEMBL2754645 0.86 L3MBTL1 (0.46) KMT2ANPC1RAB9AMEN1GAA

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