SCHEMBL20114360

SCHEMBL20114360

c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)Oc6ccccc6N7c6ccc7ccccc7c6)ccc54)n3)cc2)cc1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAC2 P15153 1/20 0.32
RAC3 P60763 1/20 0.32
CDC42 P60953 1/20 0.32
RAC1 P63000 1/20 0.32
EDNRA P25101 2/20 0.32
EDNRB P24530 1/20 0.32
PIK3CD O00329 1/20 0.30
PIK3CA P42336 1/20 0.30
MTOR P42345 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
CYP1A2 P05177 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TUBB4A P04350 1/20 0.30
TUBB P07437 1/20 0.30
TUBA3C P0DPH7 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
SCHEMBL20114556 0.99 RAC2 (0.32) RAC2RAC3CDC42RAC1EDNRA
SCHEMBL15944575 0.93 EDNRA (0.34) RAC2RAC3CDC42RAC1EDNRA
SCHEMBL20114512 0.93 EDNRA (0.34) RAC2RAC3CDC42RAC1EDNRA
SCHEMBL20114357 0.92 PTGER4 (0.32) EDNRAEDNRBKDM4EALDH1A1
SCHEMBL20114072 0.92 PTGER4 (0.32) EDNRAEDNRBKDM4EALDH1A1
SCHEMBL20114593 0.91 PTGER4 (0.32) RAC2RAC3CDC42RAC1EDNRA
SCHEMBL20114796 0.91 PTGER4 (0.32) RAC2RAC3CDC42RAC1EDNRA
SCHEMBL20114120 0.91 PTGER4 (0.32) RAC2RAC3CDC42RAC1EDNRA
SCHEMBL20114306 0.91 EDNRB (0.32) RAC2RAC3CDC42RAC1EDNRA
SCHEMBL20114503 0.90 PTGER4 (0.33) RAC2RAC3CDC42RAC1EDNRA

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