SCHEMBL4949413

SCHEMBL4949413

COc1cccc(Nc2c(C(N)=O)cnc3c(S(=O)(=O)C4CCN(C(=O)c5ccco5)CC4)cc(C)cc23)c1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 18/20 0.52
PDE4A P27815 3/20 0.43
PDE4C Q08493 3/20 0.43
PDE4D Q08499 3/20 0.43
ALDH1A1 P00352 2/20 0.42
PKM P14618 2/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL2479653 0.90 PDE4B (0.60) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL4948891 0.88 PDE4B (0.52) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL4952539 0.88 PDE4B (0.59) PDE4BPDE4APDE4CPDE4D
SCHEMBL4944370 0.85 PDE4B (0.38) PDE4BALDH1A1PKMSMN1; SMN2
SCHEMBL4949429 0.82 PDE4B (0.50) PDE4BALDH1A1PKMSMN1; SMN2
SCHEMBL4949426 0.81 PDE4B (0.59) PDE4BPDE4APDE4CPDE4D
SCHEMBL2501627 0.78 PDE4B (0.63) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL2481592 0.77 PDE4B (0.66) PDE4BPDE4APDE4CPDE4D
SCHEMBL4948739 0.76 PDE4B (0.71) PDE4BPDE4APDE4CPDE4D
SCHEMBL4946547 0.76 PDE4B (0.77) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633748-B1 QUINOLINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LTD (GB) 2008-03-05 EP claimed