SCHEMBL25836795

SCHEMBL25836795

O=c1[nH]c2cc3c(cc2c2cc4c5ccccc5n(-c5ccc(-c6ccccc6)cc5)c4cc12)c1ccccc1n3-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ATM Q13315 1/20 0.44
KMT2A Q03164 2/20 0.39
HDAC4 P56524 1/20 0.38
MAT2A P31153 2/20 0.38
ADORA3 P0DMS8 1/20 0.37
PARP1 P09874 3/20 0.37
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
FEN1 P39748 1/20 0.35
KDR P35968 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
PDE7A Q13946 1/20 0.35
PDE7B Q9NP56 1/20 0.35
JAK2 O60674 1/20 0.34
JAK3 P52333 1/20 0.34
SRC P12931 1/20 0.34
CASP7 P55210 1/20 0.34
CASP6 P55212 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 0.94 KDM4E (0.50) L3MBTL1KDM4EATMKMT2AMAT2A
SCHEMBL25836701 0.93 ATM (0.42) L3MBTL1KDM4EATMKMT2AMAT2A
SCHEMBL25836789 0.92 ATM (0.40) L3MBTL1KDM4EATMKMT2AMAT2A
SCHEMBL25836442 0.91 KDM4E (0.50) L3MBTL1KDM4EATMKMT2AMAT2A
SCHEMBL25829741 0.91 L3MBTL1 (0.42) L3MBTL1KDM4EATMKMT2AMAT2A
SCHEMBL25837027 0.90 L3MBTL1 (0.44) L3MBTL1KDM4EATMKMT2AMAT2A
SCHEMBL25836579 0.86 KDM4E (0.45) L3MBTL1KDM4EATMKMT2AMAT2A
SCHEMBL25836925 0.86 KDM4E (0.38) L3MBTL1KDM4EATMKMT2AMAT2A
SCHEMBL23204258 0.83 KDM4E (0.46) L3MBTL1KDM4EATMHDAC4PDE7A
SCHEMBL23203974 0.83 KDM4E (0.46) L3MBTL1KDM4EATMHDAC4PDE7A

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