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SCHEMBL20114512

SCHEMBL20114512

c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)Oc6ccccc6N7c6ccc(-c7ccccc7)cc6)ccc54)n3)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EDNRA P25101 2/20 0.34
▸ EDNRB P24530 1/20 0.34
▸ RAC2 P15153 1/20 0.32
▸ RAC3 P60763 1/20 0.32
▸ CDC42 P60953 1/20 0.32
▸ RAC1 P63000 1/20 0.32
▸ TSPO P30536 1/20 0.31
▸ PTGER4 P35408 1/20 0.31
▸ NPY5R Q15761 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
SCHEMBL15944575 1.00 EDNRA (0.34) EDNRAEDNRBRAC2RAC3CDC42
SCHEMBL20114796 0.98 PTGER4 (0.32) EDNRAEDNRBRAC2RAC3CDC42
SCHEMBL20114120 0.98 PTGER4 (0.32) EDNRAEDNRBRAC2RAC3CDC42
SCHEMBL20114593 0.98 PTGER4 (0.32) EDNRAEDNRBRAC2RAC3CDC42
SCHEMBL20114503 0.97 PTGER4 (0.33) EDNRAEDNRBRAC2RAC3CDC42
SCHEMBL20114357 0.94 PTGER4 (0.32) EDNRAEDNRBTSPOPTGER4
SCHEMBL20114072 0.94 PTGER4 (0.32) EDNRAEDNRBTSPOPTGER4
SCHEMBL20114567 0.94 TSPO (0.32) EDNRAEDNRBRAC2RAC3CDC42
SCHEMBL20114360 0.93 RAC2 (0.32) EDNRAEDNRBRAC2RAC3CDC42
SCHEMBL17278713 0.93 KDM4E (0.38) EDNRAEDNRBRAC2RAC3CDC42

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