SCHEMBL25829741

SCHEMBL25829741

O=c1[nH]c2cc3c(cc2c2cc4c5cc(-c6ccc7c8ccccc8c8ccccc8c7c6)ccc5n(-c5ccccc5)c4cc12)c1ccccc1n3-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ATM Q13315 1/20 0.42
MAT2A P31153 3/20 0.39
PARP1 P09874 6/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
LMNA P02545 2/20 0.37
CSNK2A1 P68400 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
JAK2 O60674 1/20 0.36
JAK3 P52333 1/20 0.36
CASP7 P55210 1/20 0.35
CASP6 P55212 1/20 0.35
CASP8 Q14790 1/20 0.35
TNKS O95271 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
GPR3 P46089 1/20 0.34
BLM P54132 1/20 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
SCHEMBL25836702 0.92 KDM4E (0.50) L3MBTL1KDM4EATMMAT2APARP1
SCHEMBL25836795 0.91 L3MBTL1 (0.44) L3MBTL1KDM4EATMMAT2APARP1
SCHEMBL25837027 0.91 L3MBTL1 (0.44) L3MBTL1KDM4EATMMAT2APARP1
SCHEMBL25836442 0.89 KDM4E (0.50) L3MBTL1KDM4EATMMAT2APARP1
SCHEMBL25836701 0.88 ATM (0.42) L3MBTL1KDM4EATMMAT2APARP1
SCHEMBL25836789 0.87 ATM (0.40) L3MBTL1KDM4EATMMAT2APARP1
SCHEMBL15959722 0.85 L3MBTL1 (0.58) L3MBTL1KDM4EATMKMT2AMEN1
SCHEMBL14728153 0.85 L3MBTL1 (0.58) L3MBTL1KDM4EATMKMT2AMEN1
SCHEMBL25836579 0.84 KDM4E (0.45) L3MBTL1KDM4EATMMAT2APARP1
SCHEMBL17736881 0.84 L3MBTL1 (0.56) L3MBTL1KDM4EATMKMT2AMEN1

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