SCHEMBL25836701

SCHEMBL25836701

O=c1[nH]c2cc3c(cc2c2cc4c5ccccc5n(-c5cccc(-c6ccccc6)c5)c4cc12)c1ccccc1n3-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
KDM4E B2RXH2 2/20 0.42
KMT2A Q03164 2/20 0.37
MAT2A P31153 3/20 0.36
FAAH O00519 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HSP90AA1 P07900 1/20 0.36
PKM P14618 1/20 0.36
HTT P42858 1/20 0.36
MGLL Q99685 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
PARP1 P09874 2/20 0.35
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
FEN1 P39748 1/20 0.34
KDR P35968 1/20 0.34
GAA P10253 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
JAK2 O60674 1/20 0.33

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
SCHEMBL25836789 0.99 ATM (0.40) ATML3MBTL1KDM4EKMT2AMAT2A
SCHEMBL25836795 0.93 L3MBTL1 (0.44) ATML3MBTL1KDM4EKMT2AMAT2A
SCHEMBL25836702 0.92 KDM4E (0.50) ATML3MBTL1KDM4EKMT2AMAT2A
SCHEMBL25836925 0.90 KDM4E (0.38) ATML3MBTL1KDM4EKMT2AMAT2A
SCHEMBL25836442 0.89 KDM4E (0.50) ATML3MBTL1KDM4EKMT2AMAT2A
SCHEMBL25829741 0.88 L3MBTL1 (0.42) ATML3MBTL1KDM4EKMT2AMAT2A
SCHEMBL25837027 0.88 L3MBTL1 (0.44) ATML3MBTL1KDM4EKMT2AMAT2A
SCHEMBL25836579 0.84 KDM4E (0.45) ATML3MBTL1KDM4EKMT2AMAT2A
SCHEMBL27308061 0.84 KDM4E (0.44) ATML3MBTL1KDM4EFAAHALDH1A1
SCHEMBL26531325 0.83 KDM4E (0.42) ATML3MBTL1KDM4EALDH1A1FEN1

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