SCHEMBL7052696

SCHEMBL7052696

COc1ccc(-c2c(Cl)cncc2Cl)c2c(C(N)=O)c(C(C)=NO)oc12

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 16/20 0.44
PDE4B Q07343 12/20 0.44
PDE4A P27815 11/20 0.44
PDE4C Q08493 11/20 0.44
SLC9A1 P19634 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MKNK2 Q9HBH9 1/20 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
SCHEMBL7052721 0.91 PDE4D (0.43) PDE4DPDE4BPDE4APDE4CSLC9A1
SCHEMBL7052278 0.90 PDE4D (0.52) PDE4DPDE4BPDE4APDE4CKDM4E
SCHEMBL7054167 0.86 PDE4D (0.40) PDE4DPDE4BPDE4APDE4C
SCHEMBL8352300 0.84 PDE4D (0.39) PDE4DPDE4BPDE4APDE4CLMNA
Morpholine SCHEMBL7050559 0.81 PDE4B (0.37) PDE4DPDE4BPDE4APDE4C
SCHEMBL7054654 0.81 PDE4D (0.44) PDE4DPDE4BPDE4APDE4C
SCHEMBL7054772 0.80 PDE4B (0.39) PDE4DPDE4BPDE4APDE4C
SCHEMBL8357732 0.80 PDE4D (0.42) PDE4DPDE4BPDE4APDE4C
SCHEMBL7056176 0.80 PDE4D (0.48) PDE4DPDE4BPDE4APDE4C
SCHEMBL7053281 0.78 PDE4D (0.46) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5972936-A Benzofuran carboxamides and their therapeutic use DARWIN DISCOVER LIMITED (GB) 1999-10-26 US claimed
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
EP-0901482-A1 BENZOFURAN CARBOXAMIDES AND THEIR THERAPEUTIC USE Darwin Discovery Limited (GB) 1999-03-17 EP disclosed
WO-1997044337-A1 BENZOFURAN CARBOXAMIDES AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LIMITED (GB) 1997-11-27 WO disclosed