SCHEMBL8290205

SCHEMBL8290205

COc1ccc(C(=O)Nc2c(Cl)c[n+](O)cc2Cl)c2ccc(C(F)(F)F)nc12

nearest known ligand 0.80

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 20/20 0.80
PDE4B Q07343 20/20 0.80
PDE4C Q08493 20/20 0.80
PDE4D Q08499 20/20 0.80
PDE11A Q9HCR9 1/20 0.80

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
Sch-351591 SCHEMBL157018 0.92 PDE4A (0.80) PDE4APDE4BPDE4CPDE4DPDE11A
Sch-351591 SCHEMBL29378661 0.92 PDE4A (0.80) PDE4APDE4BPDE4CPDE4DPDE11A
SCHEMBL29993300 0.89 PDE4D (1.00) PDE4APDE4BPDE4CPDE4DPDE11A
SCHEMBL4702803 0.89 PDE4D (1.00) PDE4APDE4BPDE4CPDE4DPDE11A
SCHEMBL13035036 0.86 PDE4B (0.71) PDE4APDE4BPDE4CPDE4DPDE11A
SCHEMBL7982349 0.84 PDE4B (0.78) PDE4APDE4BPDE4CPDE4DPDE11A
SCHEMBL7982331 0.84 PDE4B (0.78) PDE4APDE4BPDE4CPDE4DPDE11A
SCHEMBL432864 0.82 PDE4A (0.77) PDE4APDE4BPDE4CPDE4DPDE11A
SCHEMBL7982313 0.82 PDE4B (0.70) PDE4APDE4BPDE4CPDE4DPDE11A
SCHEMBL434601 0.82 PDE4B (0.70) PDE4APDE4BPDE4CPDE4DPDE11A

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-2005028471-A1 SYNTHESIS OF QUINOLINE 5-CARBOXAMIDES USEFUL FOR THE PREPARATION OF PDE IV INHIBITORS SCHERING CORPORATION (US) 2005-03-31 WO disclosed