SCHEMBL25836579

SCHEMBL25836579

O=c1[nH]c2cc3c(cc2c2cc4c(cc12)[nH]c1ccccc14)c1ccccc1n3-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
AHR P35869 1/20 0.45
ATM Q13315 1/20 0.45
ADORA3 P0DMS8 3/20 0.43
PARP1 P09874 6/20 0.43
MEN1 O00255 2/20 0.43
LMNA P02545 2/20 0.43
KMT2A Q03164 2/20 0.43
TNKS O95271 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
GPR3 P46089 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
PARP15 Q460N3 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TNKS2 Q9H2K2 1/20 0.43
PDE7A Q13946 2/20 0.41
PDE7B Q9NP56 2/20 0.41

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
SCHEMBL25836442 0.92 KDM4E (0.50) KDM4EL3MBTL1ATMADORA3PARP1
SCHEMBL25836702 0.92 KDM4E (0.50) KDM4EL3MBTL1ATMADORA3PARP1
SCHEMBL25837026 0.90 PARP1 (0.44) KDM4EAHRADORA3PARP1MEN1
SCHEMBL13466760 0.89 KDM4E (0.56) KDM4EL3MBTL1AHRATMMEN1
SCHEMBL29431053 0.89 KDM4E (0.56) KDM4EL3MBTL1AHRATMMEN1
SCHEMBL29819577 0.89 KDM4E (0.56) KDM4EL3MBTL1AHRATMMEN1
SCHEMBL31652 0.87 KDM4E (0.56) KDM4EL3MBTL1AHRATMMEN1
SCHEMBL18383126 0.87 KDM4E (0.56) KDM4EL3MBTL1AHRATMMEN1
SCHEMBL29402271 0.87 KDM4E (0.56) KDM4EL3MBTL1AHRATMMEN1
SCHEMBL25836795 0.86 L3MBTL1 (0.44) KDM4EL3MBTL1ATMADORA3PARP1

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