SCHEMBL20114786

SCHEMBL20114786

c1ccc2c(c1)Oc1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4oc5ccccc5c4c3)ccc1N2c1cccc2c1oc1ccccc12

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 1/20 0.32
EDNRA P25101 1/20 0.32
ALOX5 P09917 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
SCHEMBL20114783 0.95 EDNRB (0.32) EDNRBEDNRAALOX5
SCHEMBL20114813 0.93 ALOX5 (0.30) ALOX5
SCHEMBL20114782 0.92 PLA2G2A (0.33) EDNRBEDNRAALOX5
SCHEMBL20114534 0.92 ALOX5 (0.31) EDNRBEDNRAALOX5
SCHEMBL20114137 0.92 KDM4E (0.36) EDNRBEDNRAALOX5
SCHEMBL20114784 0.91 PLA2G2A (0.33) EDNRBEDNRAALOX5
SCHEMBL20114356 0.91 ALOX5 (0.34) ALOX5
SCHEMBL20114768 0.91 EDNRB (0.35) EDNRBEDNRA
SCHEMBL20114114 0.89 EDNRA (0.36) EDNRBEDNRA
SCHEMBL20114263 0.89 ALOX5 (0.30) ALOX5

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