SCHEMBL25829308

SCHEMBL25829308

O=c1c2cc3c(cc2c2cc4c(cc2n1-c1ccccc1)[nH]c1ccccc14)c1ccccc1n3-c1ccc2c3ccccc3c3ccccc3c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 1/20 0.42
PDE7B Q9NP56 1/20 0.42
KDM4E B2RXH2 5/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ATM Q13315 1/20 0.40
HTT P42858 1/20 0.40
GAA P10253 1/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.38
KMT2A Q03164 2/20 0.38
AHR P35869 1/20 0.37
ALDH1A1 P00352 5/20 0.37
HSD17B10 Q99714 2/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.37
BRCA1 P38398 1/20 0.37
HPGD P15428 2/20 0.36
RXFP1 Q9HBX9 2/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL25837761 0.87 KDM4E (0.50) KDM4EL3MBTL1ATMMAPK1KMT2A
SCHEMBL25829307 0.87 KDM4E (0.50) KDM4EL3MBTL1ATMMAPK1KMT2A
SCHEMBL25829305 0.87 KDM4E (0.50) KDM4EL3MBTL1ATMMAPK1KMT2A
SCHEMBL25830503 0.87 PDE7A (0.37) PDE7APDE7BKDM4EL3MBTL1ATM
SCHEMBL25837027 0.86 L3MBTL1 (0.44) KDM4EL3MBTL1ATMMAPK1KMT2A
SCHEMBL25837026 0.85 PARP1 (0.44) KDM4ETP53KMT2AAHRALDH1A1
SCHEMBL22198480 0.84 KDM4E (0.53) KDM4EL3MBTL1ATMMAPK1KMT2A
SCHEMBL21375621 0.84 L3MBTL1 (0.53) PDE7APDE7BKDM4EL3MBTL1ATM
SCHEMBL29431053 0.84 KDM4E (0.56) PDE7APDE7BKDM4EL3MBTL1ATM
SCHEMBL13466760 0.84 KDM4E (0.56) PDE7APDE7BKDM4EL3MBTL1ATM

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