SCHEMBL15088945

SCHEMBL15088945

c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccc(-c5ccccc5)cc4c4c5c(ccc43)-c3ccc(-c4ccccc4)c4cccc(c34)N5c3ccccc3)c2)cc1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE6D O43924 1/20 0.33
FAAH O00519 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HSP90AA1 P07900 1/20 0.30
PKM P14618 1/20 0.30
HTT P42858 1/20 0.30
ATM Q13315 1/20 0.30
MGLL Q99685 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
SCHEMBL15088964 0.95 PDE6D (0.35) PDE6DATM
SCHEMBL15088939 0.94 PDE6D (0.37) PDE6DATM
SCHEMBL15088974 0.92 KDM4E (0.35) PDE6DATM
SCHEMBL15089068 0.91 PDE6D (0.32) PDE6D
SCHEMBL15088959 0.90 ATM (0.34) PDE6DFAAHALDH1A1HSP90AA1PKM
SCHEMBL15088948 0.90 GRM5 (0.35)
SCHEMBL15088944 0.89 PIK3CA (0.37) PDE6DHSP90AA1ATM
SCHEMBL15088950 0.89 KDM4E (0.37) PDE6DATM
SCHEMBL15089069 0.86 PDE6D (0.33) PDE6D
SCHEMBL15088947 0.85 PDE6D (0.33) PDE6DALDH1A1

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