SCHEMBL20114779

SCHEMBL20114779

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)Oc6ccccc6N7c6ccc7oc8ccccc8c7c6)ccc54)c3)n2)cc1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 1/20 0.32
EDNRA P25101 1/20 0.32
CHEK2 O96017 1/20 0.30
RAC2 P15153 1/20 0.30
RAC3 P60763 1/20 0.30
CDC42 P60953 1/20 0.30
RAC1 P63000 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
SCHEMBL20114122 0.94 EDNRB (0.34) EDNRBEDNRA
SCHEMBL20114082 0.94 EDNRB (0.34) EDNRBEDNRA
SCHEMBL20114171 0.93 CHEK2 (0.31) EDNRBEDNRACHEK2RAC2RAC3
SCHEMBL20114217 0.92 PLA2G2A (0.31) EDNRBEDNRACHEK2RAC2RAC3
SCHEMBL20114532 0.92 EDNRB (0.33) EDNRBEDNRA
SCHEMBL20114071 0.91 EDNRB (0.34) EDNRBEDNRARAC2RAC3CDC42
SCHEMBL20114118 0.91 EDNRB (0.33) EDNRBEDNRARAC2RAC3CDC42
SCHEMBL20114790 0.91
SCHEMBL20114096 0.90 EDNRB (0.33) EDNRBEDNRA
SCHEMBL20114114 0.90 EDNRA (0.36) 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