SCHEMBL20114503

SCHEMBL20114503

c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)Oc5ccccc5N6c5ccccc5)ccc43)n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.33
EDNRB P24530 1/20 0.32
EDNRA P25101 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
RAC2 P15153 1/20 0.31
RAC3 P60763 1/20 0.31
CDC42 P60953 1/20 0.31
RAC1 P63000 1/20 0.31
NPY5R Q15761 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
SCHEMBL20114796 0.99 PTGER4 (0.32) PTGER4EDNRBEDNRAKDM4EATM
SCHEMBL20114120 0.99 PTGER4 (0.32) PTGER4EDNRBEDNRAKDM4EATM
SCHEMBL20114593 0.99 PTGER4 (0.32) PTGER4EDNRBEDNRAKDM4EATM
SCHEMBL15944575 0.97 EDNRA (0.34) PTGER4EDNRBEDNRARAC2RAC3
SCHEMBL20114512 0.97 EDNRA (0.34) PTGER4EDNRBEDNRARAC2RAC3
SCHEMBL20114357 0.95 PTGER4 (0.32) PTGER4EDNRBEDNRAKDM4EATM
SCHEMBL20114072 0.95 PTGER4 (0.32) PTGER4EDNRBEDNRAKDM4EATM
SCHEMBL17278456 0.94 KDM4E (0.38) PTGER4EDNRBEDNRAKDM4EATM
SCHEMBL17278713 0.94 KDM4E (0.38) PTGER4EDNRBEDNRAKDM4EATM
SCHEMBL20114118 0.92 EDNRB (0.33) PTGER4EDNRBEDNRAKDM4EATM

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