SCHEMBL20114237

SCHEMBL20114237

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)Oc6ccccc6N7c6ccc(N(c7ccccc7)c7ccccc7)cc6)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
PTGER4 P35408 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
SCHEMBL20114071 0.93 EDNRB (0.34) EDNRBEDNRAPTGER4RAC2RAC3
SCHEMBL20114118 0.93 EDNRB (0.33) EDNRBEDNRAPTGER4RAC2RAC3
SCHEMBL20114234 0.92 RAC2 (0.32) EDNRBEDNRAPTGER4RAC2RAC3
SCHEMBL20114096 0.92 EDNRB (0.33) EDNRBEDNRAPTGER4
SCHEMBL20114567 0.91 TSPO (0.32) EDNRBEDNRARAC2RAC3CDC42
SCHEMBL20114532 0.90 EDNRB (0.33) EDNRBEDNRAPTGER4
SCHEMBL20114209 0.89 ATM (0.35) EDNRBEDNRA
SCHEMBL17278713 0.89 KDM4E (0.38) EDNRBEDNRAPTGER4RAC2RAC3
SCHEMBL17278456 0.89 KDM4E (0.38) EDNRBEDNRAPTGER4RAC2RAC3
SCHEMBL22146059 0.88 EDNRB (0.33) EDNRBEDNRAPTGER4

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