SCHEMBL7053281

SCHEMBL7053281

COc1ccc(-c2c(Cl)cncc2Cl)c2c(C(N)=O)c(CC(C)(C)C)oc12

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 15/20 0.46
PDE4B Q07343 14/20 0.46
PDE4A P27815 11/20 0.46
PDE4C Q08493 11/20 0.46
RIPK2 O43353 2/20 0.32

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
SCHEMBL7054654 0.89 PDE4D (0.44) PDE4DPDE4BPDE4APDE4C
SCHEMBL7052278 0.81 PDE4D (0.52) PDE4DPDE4BPDE4APDE4C
SCHEMBL8357732 0.80 PDE4D (0.42) PDE4DPDE4BPDE4APDE4C
SCHEMBL7056176 0.80 PDE4D (0.48) PDE4DPDE4BPDE4APDE4C
SCHEMBL7052696 0.78 PDE4D (0.44) PDE4DPDE4BPDE4APDE4C
SCHEMBL7052721 0.77 PDE4D (0.43) PDE4DPDE4BPDE4APDE4C
SCHEMBL7054167 0.77 PDE4D (0.40) PDE4DPDE4BPDE4APDE4C
SCHEMBL7055197 0.74 PDE4B (0.37) PDE4DPDE4BPDE4APDE4C
SCHEMBL8352300 0.73 PDE4D (0.39) PDE4DPDE4BPDE4APDE4C
SCHEMBL7052513 0.72 ALDH1A1 (0.40) PDE4DPDE4BPDE4APDE4C

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
EP-0901482-A1 BENZOFURAN CARBOXAMIDES AND THEIR THERAPEUTIC USE Darwin Discovery Limited (GB) 1999-03-17 EP claimed
WO-1997044337-A1 BENZOFURAN CARBOXAMIDES AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LIMITED (GB) 1997-11-27 WO claimed
EP-0901482-B1 BENZOFURAN CARBOXAMIDES AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LTD (GB) 2003-05-02 EP disclosed