SCHEMBL16613592

SCHEMBL16613592

c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)c5ccsc5n4)ccc32)cc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
VCP P55072 1/20 0.33
PTGER4 P35408 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
POLB P06746 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
DHODH Q02127 1/20 0.31
DUSP3 P51452 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
SCHEMBL16613564 0.92 KDM4E (0.36) KDM4EATML3MBTL1VCPPTGER4
SCHEMBL16613488 0.92 KDM4E (0.40) KDM4EATML3MBTL1VCPMEN1
SCHEMBL16613717 0.91 KDM4E (0.37) KDM4EATML3MBTL1VCPPTGER4
SCHEMBL16613565 0.90 KDM4E (0.35) KDM4EATML3MBTL1VCPPTGER4
SCHEMBL16613566 0.89 KDM4E (0.40) KDM4EATML3MBTL1VCPPTGER4
SCHEMBL16613591 0.88 KDM4E (0.35) KDM4EATML3MBTL1VCPPTGER4
SCHEMBL16613716 0.88 KDM4E (0.38) KDM4EATML3MBTL1VCPPTGER4
SCHEMBL16613722 0.88 KDM4E (0.39) KDM4EATML3MBTL1VCPPTGER4
SCHEMBL16613723 0.87 ALOX5 (0.35) KDM4EATML3MBTL1VCP
SCHEMBL16613718 0.87 KDM4E (0.33) KDM4EATML3MBTL1VCPPTGER4

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