SCHEMBL20114072

SCHEMBL20114072

c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)Oc6ccccc6N7c6cccc(-c7ccccc7)c6)ccc54)n3)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.32
ATM Q13315 2/20 0.31
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
EDNRB P24530 1/20 0.31
EDNRA P25101 1/20 0.31
HPSE Q9Y251 2/20 0.31
TSPO P30536 1/20 0.30
KDM4E B2RXH2 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
ABCG2 Q9UNQ0 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
SCHEMBL20114357 1.00 PTGER4 (0.32) PTGER4ATMFAAHALDH1A1HSP90AA1
SCHEMBL20114593 0.96 PTGER4 (0.32) PTGER4ATMEDNRBEDNRATSPO
SCHEMBL20114796 0.96 PTGER4 (0.32) PTGER4ATMEDNRBEDNRATSPO
SCHEMBL20114120 0.96 PTGER4 (0.32) PTGER4ATMEDNRBEDNRATSPO
SCHEMBL20114503 0.95 PTGER4 (0.33) PTGER4ATMEDNRBEDNRAKDM4E
SCHEMBL20114532 0.94 EDNRB (0.33) PTGER4ATMFAAHALDH1A1HSP90AA1
SCHEMBL20114512 0.94 EDNRA (0.34) PTGER4EDNRBEDNRATSPO
SCHEMBL15944575 0.94 EDNRA (0.34) PTGER4EDNRBEDNRATSPO
SCHEMBL20114096 0.92 EDNRB (0.33) PTGER4ATMEDNRBEDNRATSPO
SCHEMBL20114360 0.92 RAC2 (0.32) ALDH1A1EDNRBEDNRAKDM4E

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