SCHEMBL7356246

SCHEMBL7356246

COc1ncc(C(=O)Cl)cc1OC1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 13/20 0.46
PDE4B Q07343 11/20 0.46
PDE4A P27815 10/20 0.46
PDE4C Q08493 10/20 0.46
KMT2A Q03164 1/20 0.44
MAPK14 Q16539 1/20 0.43
SCN9A Q15858 2/20 0.42
SCN5A Q14524 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
SCHEMBL72986 0.88 KMT2A (0.54) PDE4DPDE4BPDE4APDE4CKMT2A
SCHEMBL71189 0.86 PDE4D (0.46) PDE4DPDE4BPDE4APDE4CKMT2A
SCHEMBL7361220 0.80 PDE4B (0.40) PDE4DPDE4BPDE4APDE4CKMT2A
SCHEMBL70409 0.79 PDE4D (0.57) PDE4DPDE4BPDE4APDE4CSCN9A
SCHEMBL70380 0.79 PDE4D (0.72) PDE4DPDE4BPDE4APDE4CSCN9A
SCHEMBL70885 0.78 PDE4D (0.70) PDE4DPDE4BPDE4APDE4CSCN9A
SCHEMBL70834 0.78 PDE4D (0.58) PDE4DPDE4BPDE4APDE4CSCN9A
SCHEMBL71331 0.76 PDE4D (0.65) PDE4DPDE4BPDE4APDE4CMAPK14
SCHEMBL5024914 0.76 KMT2A (0.63) PDE4DPDE4BPDE4APDE4CKMT2A
SCHEMBL6608115 0.75 PDGFRB (0.45) 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-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