SCHEMBL25828903

SCHEMBL25828903

O=c1c2cc3c(cc2c2ccc4c5ccccc5n(-c5ccccc5)c4c2n1-c1ccc2c4ccccc4c4ccccc4c2c1)c1ccccc1n3-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.46
KDM4E B2RXH2 2/20 0.46
ATM Q13315 1/20 0.46
MAPK1 P28482 1/20 0.44
KMT2A Q03164 2/20 0.40
PGR P06401 4/20 0.40
MAPK8 P45983 3/20 0.39
MAPK9 P45984 2/20 0.39
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 2/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.38
BRCA1 P38398 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
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

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
SCHEMBL25837996 0.97 KDM4E (0.46) L3MBTL1KDM4EATMMAPK1KMT2A
SCHEMBL25829015 0.95 KDM4E (0.51) L3MBTL1KDM4EATMMAPK1KMT2A
SCHEMBL25828895 0.95 KDM4E (0.51) L3MBTL1KDM4EATMMAPK1KMT2A
SCHEMBL25829305 0.91 KDM4E (0.50) L3MBTL1KDM4EATMMAPK1KMT2A
SCHEMBL25837761 0.91 KDM4E (0.50) L3MBTL1KDM4EATMMAPK1KMT2A
SCHEMBL25829307 0.91 KDM4E (0.50) L3MBTL1KDM4EATMMAPK1KMT2A
SCHEMBL16940908 0.91 L3MBTL1 (0.53) L3MBTL1KDM4EATMMAPK1KMT2A
SCHEMBL16940878 0.91 L3MBTL1 (0.53) L3MBTL1KDM4EATMMAPK1KMT2A
SCHEMBL16940913 0.91 L3MBTL1 (0.53) L3MBTL1KDM4EATMMAPK1KMT2A
SCHEMBL25828897 0.89 KMT2A (0.43) L3MBTL1KDM4EATMMAPK1KMT2A

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