SCHEMBL17033895

SCHEMBL17033895

c1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-n3c4ccccc4c4ccc5c(nc6c7ccccc7c7ccccc7n56)c43)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
ATM Q13315 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL17033676 0.94 KDM4E (0.34) KDM4EALDH1A1HPGDATML3MBTL1
SCHEMBL17033700 0.91 GAA (0.33) KDM4EALDH1A1HPGDATML3MBTL1
SCHEMBL17033722 0.91 MEN1 (0.33) KDM4EALDH1A1HPGDATML3MBTL1
SCHEMBL17033697 0.90 GAA (0.34) KDM4EALDH1A1HPGDATML3MBTL1
SCHEMBL17033698 0.90 KDM4E (0.35) KDM4EALDH1A1HPGDATML3MBTL1
SCHEMBL17033723 0.90 NR3C1 (0.32) KDM4EALDH1A1HPGDATML3MBTL1
SCHEMBL17033665 0.89 KDM4E (0.36) KDM4EALDH1A1HPGDATML3MBTL1
SCHEMBL17033473 0.87 KDM4E (0.33) KDM4EALDH1A1HPGDATM
SCHEMBL17033678 0.87 GAA (0.36) KDM4EALDH1A1HPGDATML3MBTL1
SCHEMBL17033447 0.87 KDM4E (0.35) KDM4EALDH1A1HPGDATML3MBTL1

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-2015125986-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-08-27 WO disclosed