SCHEMBL20114567

SCHEMBL20114567

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

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSPO P30536 1/20 0.32
RAC2 P15153 1/20 0.31
RAC3 P60763 1/20 0.31
CDC42 P60953 1/20 0.31
RAC1 P63000 1/20 0.31
EDNRB P24530 1/20 0.31
EDNRA P25101 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
SCHEMBL20114234 0.99 RAC2 (0.32) TSPORAC2RAC3CDC42RAC1
SCHEMBL15944575 0.94 EDNRA (0.34) TSPORAC2RAC3CDC42RAC1
SCHEMBL20114512 0.94 EDNRA (0.34) TSPORAC2RAC3CDC42RAC1
SCHEMBL20114593 0.92 PTGER4 (0.32) TSPORAC2RAC3CDC42RAC1
SCHEMBL20114120 0.92 PTGER4 (0.32) TSPORAC2RAC3CDC42RAC1
SCHEMBL20114796 0.92 PTGER4 (0.32) TSPORAC2RAC3CDC42RAC1
SCHEMBL20114237 0.91 EDNRB (0.32) RAC2RAC3CDC42RAC1EDNRB
SCHEMBL20114503 0.91 PTGER4 (0.33) RAC2RAC3CDC42RAC1EDNRB
SCHEMBL20114088 0.90 ALDH1A1 (0.35)
SCHEMBL20114072 0.88 PTGER4 (0.32) TSPOEDNRBEDNRA

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