SCHEMBL7356702

SCHEMBL7356702

COc1cnc(C(=O)Cc2c(Cl)c[n+]([O-])cc2Cl)cc1OC1CCOC1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 16/20 0.45
PDE4A P27815 11/20 0.45
PDE4B Q07343 9/20 0.45
PDE4C Q08493 9/20 0.45
POLQ O75417 1/20 0.37
ERBB2 P04626 1/20 0.37
EPHA2 P29317 1/20 0.37
KDR P35968 1/20 0.37
EPHB4 P54760 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
SCHEMBL7356755 0.89 PDE4D (0.48) PDE4DPDE4APDE4BPDE4C
SCHEMBL7362314 0.84 PDE4D (0.63) PDE4DPDE4APDE4BPDE4C
SCHEMBL7361106 0.78 PDE4D (0.51) PDE4DPDE4APDE4BPDE4CPOLQ
SCHEMBL7357361 0.76 PDE4D (0.52) PDE4DPDE4APDE4BPDE4CPOLQ
SCHEMBL71286 0.75 PDE4D (0.61) PDE4DPDE4APDE4BPDE4C
SCHEMBL7359952 0.74 PDE4D (0.67) PDE4DPDE4APDE4BPDE4C
SCHEMBL7358102 0.74 PDE4D (0.56) PDE4DPDE4APDE4BPDE4CPOLQ
SCHEMBL7352641 0.72 PDE4D (0.67) PDE4DPDE4APDE4BPDE4C
SCHEMBL7363509 0.72 PDE4D (0.49) PDE4DPDE4APDE4BPDE4C
SCHEMBL14402988 0.72 PDE4D (0.42) PDE4DPDE4APDE4BPDE4CPOLQ

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0741707-B1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE POULENC RORER LTD (GB) 1998-04-01 EP claimed
EP-0741707-A1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1996-11-13 EP claimed
WO-1995020578-A1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1995-08-03 WO claimed
EP-0741707-B1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE POULENC RORER LTD (GB) 1998-04-01 EP disclosed
EP-0741707-A1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1996-11-13 EP disclosed
WO-1995020578-A1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1995-08-03 WO disclosed