Sugi Predict

Sugi Predict / Compounds / SCHEMBL15089169

SCHEMBL15089169

SCHEMBL15089169

c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c(c3)c3cc5c(cc3n4-c3ccccc3)N(c3cccc(-n4c6ccccc6c6ccccc64)c3)c3cccc4cccc-5c34)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PDE6D O43924 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ TSPO P30536 1/20 0.31
▸ HDAC4 P56524 1/20 0.31
▸ PTGER4 P35408 1/20 0.30
▸ PDE10A Q9Y233 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
SCHEMBL15089263 0.97 PDE6D (0.44) PDE6DKDM4EATML3MBTL1TSPO
SCHEMBL15089339 0.96 PDE6D (0.43) PDE6DKDM4EATML3MBTL1TSPO
SCHEMBL15089194 0.95 PDE6D (0.47) PDE6DKDM4EATML3MBTL1TSPO
SCHEMBL15088912 0.95 PDE6D (0.41) PDE6DKDM4EATML3MBTL1TSPO
SCHEMBL15089195 0.95 PDE6D (0.44) PDE6DKDM4EATML3MBTL1TSPO
SCHEMBL15089119 0.94 PDE6D (0.42) PDE6DKDM4EATML3MBTL1TSPO
SCHEMBL15088838 0.93 PDE6D (0.45) PDE6DKDM4EATML3MBTL1PDE10A
SCHEMBL15088788 0.92 PDE6D (0.44) PDE6DKDM4EATML3MBTL1PDE10A
SCHEMBL15089370 0.92 PDE6D (0.50) PDE6DKDM4EATML3MBTL1TSPO
SCHEMBL15089368 0.92 PDE6D (0.46) PDE6DATMPDE10A

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