SCHEMBL20114534

SCHEMBL20114534

c1ccc2c(c1)Oc1cc(-c3ccc4c(c3)c3ccccc3n4-c3cccc4c3oc3ccccc34)ccc1N2c1ccc2oc3ccccc3c2c1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.31
EDNRB P24530 1/20 0.31
EDNRA P25101 1/20 0.31

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
SCHEMBL20114191 0.92 PLA2G2A (0.33) ALOX5EDNRBEDNRA
SCHEMBL20114786 0.92 EDNRB (0.32) ALOX5EDNRBEDNRA
SCHEMBL20114167 0.92 ALOX5 (0.32) ALOX5EDNRBEDNRA
SCHEMBL20114305 0.92
SCHEMBL20114516 0.91 PLA2G2A (0.33) ALOX5EDNRBEDNRA
SCHEMBL20114239 0.91 PLA2G2A (0.32) ALOX5EDNRBEDNRA
SCHEMBL20114356 0.91 ALOX5 (0.34) ALOX5
SCHEMBL20114768 0.91 EDNRB (0.35) EDNRBEDNRA
SCHEMBL20114210 0.89 KDM4E (0.37) EDNRBEDNRA
SCHEMBL20114076 0.88 PLA2G2A (0.34) 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