SCHEMBL20114196

SCHEMBL20114196

c1ccc(-c2nc(-c3ccccc3)nc(N3c4ccccc4Oc4cc(-c5cccc(-c6ccc7c8ccccc8n(-c8ccc9c%10ccccc%10c%10ccccc%10c9c8)c7c6)c5)ccc43)n2)cc1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 1/20 0.32
EDNRA P25101 1/20 0.32

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
SCHEMBL20114110 0.94 KDM4E (0.33) EDNRBEDNRA
SCHEMBL20114599 0.93 KDM4E (0.32) EDNRBEDNRA
SCHEMBL20114109 0.93 KDM4E (0.32) EDNRBEDNRA
SCHEMBL20114218 0.93 KDM4E (0.36)
SCHEMBL20114142 0.92
SCHEMBL20114264 0.91 NPC1 (0.30)
SCHEMBL20114145 0.90
SCHEMBL20114379 0.89
SCHEMBL20114250 0.89 KDM4E (0.33) EDNRBEDNRA
SCHEMBL20114246 0.88 L3MBTL1 (0.35) 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