SCHEMBL14684372

SCHEMBL14684372

CNc1ccc(C(=O)Cc2c(Cl)cncc2Cl)c2cc(C=O)nn12

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 6/20 0.52
PDE4D Q08499 14/20 0.44
PDE4A P27815 4/20 0.39
PDE4C Q08493 2/20 0.38

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
SCHEMBL14684375 0.84 PDE4B (0.52) PDE4BPDE4DPDE4A
SCHEMBL4123097 0.83 PDE4B (0.70) PDE4BPDE4DPDE4A
SCHEMBL14684444 0.83 PDE4B (0.49) PDE4BPDE4DPDE4APDE4C
SCHEMBL4115895 0.83 PDE4B (0.73) PDE4BPDE4D
SCHEMBL4121765 0.82 PDE4B (0.55) PDE4BPDE4DPDE4APDE4C
SCHEMBL14684443 0.80 PDE4B (0.51) PDE4BPDE4DPDE4APDE4C
SCHEMBL14684520 0.79 PDE4B (0.50) PDE4BPDE4DPDE4APDE4C
SCHEMBL14684379 0.78 PDE4B (0.51) PDE4BPDE4DPDE4A
SCHEMBL14684431 0.77 PDE4B (0.50) PDE4BPDE4DPDE4APDE4C
SCHEMBL14684511 0.73 PDE4B (0.44) PDE4BPDE4DPDE4APDE4C

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-2013018374-A1 KETONE DERIVATIVE AND DRUG CONTAINING SAME 杏林製薬株式会社 (JP) 2013-02-07 WO disclosed