SCHEMBL7054772

SCHEMBL7054772

COc1ccc(-c2c(Cl)cncc2Cl)c2c(C(N)=O)c(C(C)=NOCc3csc(C)n3)oc12

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 10/20 0.39
PDE4D Q08499 10/20 0.39
PDE4A P27815 10/20 0.39
PDE4C Q08493 9/20 0.39
ADORA3 P0DMS8 2/20 0.32
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL8352300 0.84 PDE4D (0.39) PDE4BPDE4DPDE4APDE4C
SCHEMBL7052721 0.83 PDE4D (0.43) PDE4BPDE4DPDE4APDE4C
SCHEMBL7052696 0.80 PDE4D (0.44) PDE4BPDE4DPDE4APDE4C
SCHEMBL7052278 0.80 PDE4D (0.52) PDE4BPDE4DPDE4APDE4CPOLB
Morpholine SCHEMBL7050559 0.79 PDE4B (0.37) PDE4BPDE4DPDE4APDE4C
SCHEMBL7054167 0.78 PDE4D (0.40) PDE4BPDE4DPDE4APDE4C
SCHEMBL8357732 0.73 PDE4D (0.42) PDE4BPDE4DPDE4APDE4C
SCHEMBL7054654 0.72 PDE4D (0.44) PDE4BPDE4DPDE4APDE4C
SCHEMBL7056176 0.71 PDE4D (0.48) PDE4BPDE4DPDE4APDE4C
SCHEMBL7055197 0.70 PDE4B (0.37) 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 3 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