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Sugi Predict / Compounds / SCHEMBL20114217

SCHEMBL20114217

SCHEMBL20114217

c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)Oc6ccccc6N7c6ccc7oc8ccccc8c7c6)ccc54)n3)cc2)cc1

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 1/20 0.31
▸ PLA2G4A P47712 1/20 0.31
▸ CHEK2 O96017 1/20 0.31
▸ 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 0.30
▸ EDNRA P25101 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
SCHEMBL20114171 0.99 CHEK2 (0.31) CHEK2RAC2RAC3CDC42RAC1
SCHEMBL20114779 0.92 EDNRB (0.32) CHEK2RAC2RAC3CDC42RAC1
SCHEMBL20114512 0.91 EDNRA (0.34) RAC2RAC3CDC42RAC1EDNRB
SCHEMBL15944575 0.91 EDNRA (0.34) RAC2RAC3CDC42RAC1EDNRB
SCHEMBL20114076 0.90 PLA2G2A (0.34) PLA2G2APLA2G4ARAC2RAC3CDC42
SCHEMBL20114221 0.90 ALDH1A1 (0.35) CHEK2
SCHEMBL20114357 0.89 PTGER4 (0.32) EDNRBEDNRA
SCHEMBL20114072 0.89 PTGER4 (0.32) EDNRBEDNRA
SCHEMBL20114796 0.89 PTGER4 (0.32) RAC2RAC3CDC42RAC1EDNRB
SCHEMBL20114120 0.89 PTGER4 (0.32) RAC2RAC3CDC42RAC1EDNRB

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