SCHEMBL16613736

SCHEMBL16613736

c1ccc(-n2ccc3nc(-n4c5ccccc5c5ccccc54)nc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)c32)cc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
DUSP3 P51452 1/20 0.34
HTT P42858 2/20 0.34
MAPK1 P28482 1/20 0.34
POLB P06746 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
RECQL P46063 1/20 0.31
HSD17B10 Q99714 1/20 0.30
GSR P00390 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
SCHEMBL16613734 0.91 KDM4E (0.36) KDM4EATML3MBTL1DUSP3HTT
SCHEMBL16613572 0.90 KDM4E (0.34) KDM4EATML3MBTL1DUSP3POLB
SCHEMBL16613573 0.88 KDM4E (0.35) KDM4EATML3MBTL1DUSP3HTT
SCHEMBL16613603 0.88 KDM4E (0.36) KDM4EATML3MBTL1HTTMAPK1
SCHEMBL16613733 0.85 KDM4E (0.40) KDM4EATML3MBTL1HTTMAPK1
SCHEMBL16613641 0.84 L3MBTL1 (0.33) KDM4EATML3MBTL1MAPK1POLB
SCHEMBL16613725 0.84 ALOX5 (0.33) KDM4EATML3MBTL1
SCHEMBL16613367 0.83 KDM4E (0.40) KDM4EATML3MBTL1DUSP3HTT
SCHEMBL16613593 0.83 KDM4E (0.39) KDM4EATML3MBTL1HTTMAPK1
SCHEMBL16613574 0.83 KDM4E (0.31) KDM4EATML3MBTL1DUSP3

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