SCHEMBL16613367

SCHEMBL16613367

c1ccc(-n2ccc3c(-c4cccc5c6ccccc6n(-c6ccccc6)c45)nc(-n4c5ccccc5c5ccccc54)nc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
DUSP3 P51452 1/20 0.37
POLB P06746 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
HKDC1 Q2TB90 1/20 0.32
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
MAPK8 P45983 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
SCHEMBL16613695 0.92 KDM4E (0.36) KDM4EATML3MBTL1DUSP3
SCHEMBL16613310 0.91 KDM4E (0.35) KDM4EATML3MBTL1DUSP3POLB
SCHEMBL16613636 0.91 KDM4E (0.33) KDM4EATML3MBTL1DUSP3
SCHEMBL16613290 0.89 KDM4E (0.37) KDM4EATML3MBTL1DUSP3POLB
SCHEMBL16613312 0.87 KDM4E (0.36) KDM4EATML3MBTL1DUSP3POLB
SCHEMBL16613311 0.87 KDM4E (0.37) KDM4EATML3MBTL1DUSP3POLB
SCHEMBL16613248 0.84 DUSP3 (0.33) KDM4EATML3MBTL1DUSP3POLB
SCHEMBL16613289 0.84 KDM4E (0.41) KDM4EATML3MBTL1POLBCTDSP1
SCHEMBL16613736 0.83 KDM4E (0.40) KDM4EATML3MBTL1DUSP3POLB
SCHEMBL16613583 0.83 KDM4E (0.36) KDM4EATML3MBTL1

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-2015047058-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-04-02 WO disclosed