SCHEMBL5590148

SCHEMBL5590148

COc1ccc(S(=O)(=O)c2cc(C)c3ncc(C(N)=O)c(Nc4ccc5cnn(C)c5c4)c3c2)cc1.COc1ccc(S(=O)(=O)c2cc(C)c3ncc(C(N)=O)c(Nc4cccc5c4OCCO5)c3c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 18/20 0.60
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
HTT P42858 1/20 0.37
CLK1 P49759 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL2480486 0.89 PDE4B (0.68) PDE4B
SCHEMBL2479181 0.88 PDE4B (0.71) PDE4B
SCHEMBL5590656 0.86 PDE4B (0.53) PDE4B
SCHEMBL1275327 0.81 PDE4B (0.66) PDE4B
SCHEMBL2481386 0.81 PDE4B (0.59) PDE4B
SCHEMBL1276200 0.80 PDE4B (0.67) PDE4BPDE4APDE4CPDE4D
SCHEMBL4945330 0.79 PDE4B (0.53) PDE4BPDE4APDE4CPDE4D
SCHEMBL4948205 0.78 PDE4B (0.55) PDE4BMAPTPDE4APDE4CPDE4D
SCHEMBL1275591 0.77 PDE4B (0.63) PDE4B
SCHEMBL1276199 0.77 PDE4B (1.00) PDE4BPDE4APDE4CPDE4D

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007501264-A 2007-01-25 JP claimed
EP-1633748-A1 QUINOLINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2006-03-15 EP claimed
WO-2004103998-A1 QUINOLINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-12-02 WO claimed