SCHEMBL25829099

SCHEMBL25829099

O=c1c2ccc3c(c4ccccc4n3-c3ccccc3)c2c2ccc3c4ccccc4n(-c4ccccc4)c3c2n1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
ATM Q13315 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MAPK1 P28482 1/20 0.44
KMT2A Q03164 2/20 0.43
PGR P06401 4/20 0.42
MAPK8 P45983 2/20 0.42
MAPK9 P45984 1/20 0.42
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.40
BRCA1 P38398 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP1A2 P05177 1/20 0.39
GLA P06280 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL16674027 0.87 L3MBTL1 (0.62) KDM4EATML3MBTL1MAPK1KMT2A
SCHEMBL12456719 0.82 L3MBTL1 (0.56) KDM4EATML3MBTL1MAPK1KMT2A
SCHEMBL12456509 0.82 L3MBTL1 (0.60) KDM4EATML3MBTL1MAPK1KMT2A
SCHEMBL19849224 0.82 L3MBTL1 (0.60) KDM4EATML3MBTL1MAPK1KMT2A
SCHEMBL30092608 0.82 L3MBTL1 (0.64) KDM4EATML3MBTL1MAPK1KMT2A
SCHEMBL4378079 0.82 L3MBTL1 (0.64) KDM4EATML3MBTL1MAPK1KMT2A
SCHEMBL20390282 0.81 L3MBTL1 (0.53) KDM4EATML3MBTL1MAPK1KMT2A
SCHEMBL14933355 0.81 KDM4E (0.58) KDM4EATML3MBTL1MAPK1KMT2A
SCHEMBL12691126 0.81 L3MBTL1 (0.62) KDM4EATML3MBTL1MAPK1KMT2A
SCHEMBL10027526 0.81 L3MBTL1 (0.62) KDM4EATML3MBTL1MAPK1KMT2A

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