Sugi Predict

Sugi Predict / Compounds / SCHEMBL15089082

SCHEMBL15089082

SCHEMBL15089082

c1ccc(-c2cc(-c3ccccc3)nc(N3c4cc5c(cc4-c4cccc6cccc3c46)c3cc(-c4ccccn4)ccc3n5-c3cc(-c4ccccc4)cc(-c4ccccc4)n3)c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDE6D O43924 1/20 0.35
▸ DHODH Q02127 1/20 0.31
▸ IRAK4 Q9NWZ3 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ HSD17B10 Q99714 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
SCHEMBL15089245 0.95 PDE6D (0.36) PDE6DDHODH
SCHEMBL15089285 0.93 PDE6D (0.35) PDE6DKDM4EALDH1A1GAA
SCHEMBL15088795 0.93 PDE6D (0.37) PDE6DKDM4EALDH1A1GAATSHR
SCHEMBL15088955 0.93 CYP2A6 (0.36) PDE6DDHODH
SCHEMBL15088786 0.92 PDE6D (0.38) PDE6DIRAK4KDM4EALDH1A1GAA
SCHEMBL15089057 0.92 IRAK4 (0.32) PDE6DIRAK4KDM4EALDH1A1GAA
SCHEMBL15089265 0.92 PDE6D (0.39) PDE6D
SCHEMBL15089166 0.91 DHODH (0.32) DHODHTSHRMAPK1HSD17B10
SCHEMBL15089144 0.91 PDE6D (0.37) PDE6DKDM4EALDH1A1GAATSHR
SCHEMBL15089026 0.90 PDE6D (0.35) PDE6DIRAK4KDM4EALDH1A1GAA

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-2013100497-A1 ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME 주식회사 두산 (KR) 2013-07-04 — — WO disclosed