SCHEMBL20114768

SCHEMBL20114768

c1ccc2c(c1)Oc1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4oc5ccccc5c4c3)ccc1N2c1ccc2oc3ccccc3c2c1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 1/20 0.35
EDNRA P25101 1/20 0.35
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ATM Q13315 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL20114141 0.97 EDNRB (0.33) EDNRBEDNRAKDM4EMEN1NPC1
SCHEMBL20114210 0.96 KDM4E (0.37) EDNRBEDNRAKDM4EMEN1NPC1
SCHEMBL20114114 0.96 EDNRA (0.36) EDNRBEDNRAKDM4EMEN1NPC1
SCHEMBL20114364 0.95 EDNRA (0.35) EDNRBEDNRAKDM4EMEN1NPC1
SCHEMBL20114190 0.95 EDNRA (0.35) EDNRBEDNRAKDM4EMEN1NPC1
SCHEMBL20114076 0.95 PLA2G2A (0.34) EDNRBEDNRAKDM4EMEN1NPC1
SCHEMBL20114160 0.94 EDNRB (0.32) EDNRBEDNRA
SCHEMBL20114122 0.94 EDNRB (0.34) EDNRBEDNRAKDM4EALDH1A1ATM
SCHEMBL20114082 0.94 EDNRB (0.34) EDNRBEDNRAKDM4EALDH1A1ATM
SCHEMBL20114786 0.91 EDNRB (0.32) EDNRBEDNRA

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