SCHEMBL20114210

SCHEMBL20114210

c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)Oc4ccccc4N5c4ccc5oc6ccccc6c5c4)ccc32)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
EDNRA P25101 3/20 0.34
EDNRB P24530 1/20 0.34
HDAC4 P56524 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PLA2G2A P14555 1/20 0.31
PLA2G4A P47712 1/20 0.31
PTGER4 P35408 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
SCHEMBL20114076 0.97 PLA2G2A (0.34) KDM4EATML3MBTL1EDNRAEDNRB
SCHEMBL20114114 0.96 EDNRA (0.36) KDM4EATML3MBTL1EDNRAEDNRB
SCHEMBL20114768 0.96 EDNRB (0.35) KDM4EATML3MBTL1EDNRAEDNRB
SCHEMBL20114364 0.95 EDNRA (0.35) KDM4EATML3MBTL1EDNRAEDNRB
SCHEMBL20114082 0.94 EDNRB (0.34) KDM4EATML3MBTL1EDNRAEDNRB
SCHEMBL20114122 0.94 EDNRB (0.34) KDM4EATML3MBTL1EDNRAEDNRB
SCHEMBL20114190 0.93 EDNRA (0.35) KDM4EATML3MBTL1EDNRAEDNRB
SCHEMBL20114141 0.93 EDNRB (0.33) KDM4EEDNRAEDNRBMEN1NPC1
SCHEMBL20114160 0.90 EDNRB (0.32) EDNRAEDNRB
SCHEMBL20114779 0.90 EDNRB (0.32) EDNRAEDNRB

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