SCHEMBL17864118

SCHEMBL17864118

c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc6c(ccc7c8ccccc8ccc67)cc54)c3)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 6/20 0.37
HPGD P15428 5/20 0.37
MAPT P10636 5/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
LMNA P02545 3/20 0.37
HSD17B10 Q99714 2/20 0.33
CYP1B1 Q16678 2/20 0.33
CYP1A2 P05177 1/20 0.33
NTSR1 P30989 1/20 0.33
HIF1A Q16665 1/20 0.33
GLA P06280 1/20 0.33
ADORA3 P0DMS8 1/20 0.32
HPRT1 P00492 1/20 0.32
PLA2G10 O15496 1/20 0.32
NPC1 O15118 1/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL17864116 0.97 MEN1 (0.37) KDM4EATML3MBTL1ALDH1A1HPGD
SCHEMBL17864100 0.93 KDM4E (0.40) KDM4EATML3MBTL1ALDH1A1HPGD
SCHEMBL17864120 0.90 KDM4E (0.37) KDM4EATML3MBTL1ALDH1A1HPGD
SCHEMBL17864137 0.88 KDM4E (0.40) KDM4EATML3MBTL1ALDH1A1HPGD
SCHEMBL17864149 0.87 MEN1 (0.40) KDM4EATML3MBTL1ALDH1A1HPGD
SCHEMBL9883185 0.87 KDM4E (0.49) KDM4EATML3MBTL1ALDH1A1HPGD
SCHEMBL15257536 0.87 KDM4E (0.49) KDM4EATML3MBTL1ALDH1A1HPGD
SCHEMBL20232384 0.87 KDM4E (0.50) KDM4EATML3MBTL1ALDH1A1HPGD
SCHEMBL26007549 0.86 KDM4E (0.38) KDM4EATML3MBTL1ALDH1A1MAPT
SCHEMBL16067036 0.86 KDM4E (0.38) KDM4EATML3MBTL1ALDH1A1HPGD

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-2016099037-A2 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2016-06-23 WO disclosed