SCHEMBL20114101

SCHEMBL20114101

c1ccc(N2c3ccccc3Oc3cc(-c4cccc(-c5ccc6c7ccccc7n(-c7ccc8oc9ccccc9c8c7)c6c5)c4)ccc32)cc1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 1/20 0.32
EDNRA P25101 1/20 0.32
PLA2G10 O15496 1/20 0.32
PLA2G2A P14555 1/20 0.32
PLA2G4A P47712 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL20114107 0.96 EDNRB (0.32) EDNRBEDNRAPLA2G10PLA2G2APLA2G4A
SCHEMBL20114114 0.91 EDNRA (0.36) EDNRBEDNRAPLA2G2APLA2G4AKDM4E
SCHEMBL20114246 0.91 L3MBTL1 (0.35) EDNRBEDNRAKDM4EATML3MBTL1
SCHEMBL20114813 0.91 ALOX5 (0.30)
SCHEMBL20114190 0.90 EDNRA (0.35) EDNRBEDNRAPLA2G10PLA2G2APLA2G4A
SCHEMBL20114364 0.90 EDNRA (0.35) EDNRBEDNRAPLA2G2APLA2G4AKDM4E
SCHEMBL20114122 0.90 EDNRB (0.34) EDNRBEDNRAPLA2G10PLA2G2APLA2G4A
SCHEMBL20114082 0.90 EDNRB (0.34) EDNRBEDNRAPLA2G10PLA2G2APLA2G4A
SCHEMBL20114142 0.89
SCHEMBL20114095 0.89 ATM (0.37) EDNRBEDNRAKDM4EATML3MBTL1

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