SCHEMBL7050573

SCHEMBL7050573

COc1ccc(C(=O)Cl)c2cc(C(C)=O)oc12

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 15/20 0.61
PDE4B Q07343 15/20 0.61
PDE4C Q08493 15/20 0.61
PDE4D Q08499 15/20 0.61
LMNA P02545 2/20 0.55
RECQL P46063 1/20 0.55
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CA9 Q16790 1/20 0.39

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
SCHEMBL7055897 0.89 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7056726 0.87 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL309047 0.82 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7054715 0.82 PDE4B (0.68) PDE4APDE4BPDE4CPDE4DALDH1A1
Hydrochloric Acid SCHEMBL7053217 0.81 PDE4B (0.67) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7049311 0.81 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7052318 0.80 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL3610073 0.79 LMNA (0.57) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7407273 0.77 LMNA (0.52) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL22442113 0.77 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DLMNA

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-0901482-B1 BENZOFURAN CARBOXAMIDES AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LTD (GB) 2003-05-02 EP disclosed
US-5972936-A Benzofuran carboxamides and their therapeutic use DARWIN DISCOVER LIMITED (GB) 1999-10-26 US disclosed
US-5925636-A Benzofuran carboxamides and their therapeutic use DARWIN DISCOVERY LIMITED (GB) 1999-07-20 US disclosed
EP-0901482-A1 BENZOFURAN CARBOXAMIDES AND THEIR THERAPEUTIC USE Darwin Discovery Limited (GB) 1999-03-17 EP disclosed
US-5773467-A Benzofuran sulphonanmides CHIROSCIENCE, LTD. (GB) 1998-06-30 US disclosed
WO-1997044337-A1 BENZOFURAN CARBOXAMIDES AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LIMITED (GB) 1997-11-27 WO disclosed