SCHEMBL20114599

SCHEMBL20114599

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccc(-c6cccc(-c7ccc8c(c7)Oc7ccccc7N8c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6)cc54)c3)n2)cc1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
EDNRB P24530 1/20 0.31
EDNRA P25101 1/20 0.31
USP2 O75604 1/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
ALOX15 P16050 1/20 0.30
CYP2C19 P33261 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CLK4 Q9HAZ1 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
SCHEMBL20114109 0.98 KDM4E (0.32) KDM4EATML3MBTL1EDNRBEDNRA
SCHEMBL20114218 0.96 KDM4E (0.36) KDM4EATML3MBTL1
SCHEMBL20114250 0.95 KDM4E (0.33) KDM4EATML3MBTL1EDNRBEDNRA
SCHEMBL20114376 0.94 ATM (0.32) KDM4EATML3MBTL1EDNRBEDNRA
SCHEMBL20114196 0.93 EDNRB (0.32) EDNRBEDNRA
SCHEMBL20114110 0.93 KDM4E (0.33) KDM4EATML3MBTL1EDNRBEDNRA
SCHEMBL22146060 0.92 KDM4E (0.33) KDM4EATML3MBTL1EDNRBEDNRA
SCHEMBL20114264 0.92 NPC1 (0.30) L3MBTL1
SCHEMBL22146059 0.91 EDNRB (0.33) KDM4EATML3MBTL1EDNRBEDNRA
SCHEMBL20114145 0.91

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-2018080067-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE INCLUDING SAME 주식회사 두산 2018-05-03 WO disclosed