SCHEMBL20114532

SCHEMBL20114532

c1ccc(-c2cccc(N3c4ccccc4Oc4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)ccc43)c2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 1/20 0.33
EDNRA P25101 1/20 0.33
ATM Q13315 2/20 0.33
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PTGER4 P35408 1/20 0.32
FAAH O00519 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HSP90AA1 P07900 1/20 0.31
PKM P14618 1/20 0.31
HTT P42858 1/20 0.31
MGLL Q99685 1/20 0.31
HPSE Q9Y251 2/20 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

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
SCHEMBL20114096 0.98 EDNRB (0.33) EDNRBEDNRAATMKDM4EL3MBTL1
SCHEMBL20114071 0.97 EDNRB (0.34) EDNRBEDNRAATMKDM4EL3MBTL1
SCHEMBL20114118 0.97 EDNRB (0.33) EDNRBEDNRAATMKDM4EL3MBTL1
SCHEMBL20114072 0.94 PTGER4 (0.32) EDNRBEDNRAATMKDM4EL3MBTL1
SCHEMBL20114357 0.94 PTGER4 (0.32) EDNRBEDNRAATMKDM4EL3MBTL1
SCHEMBL22146059 0.94 EDNRB (0.33) EDNRBEDNRAATMKDM4EL3MBTL1
SCHEMBL20114306 0.94 EDNRB (0.32) EDNRBEDNRA
SCHEMBL20114376 0.93 ATM (0.32) EDNRBEDNRAATMKDM4EL3MBTL1
SCHEMBL20114199 0.93 ATM (0.38) EDNRBEDNRAATMKDM4EL3MBTL1
SCHEMBL20114779 0.92 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