SCHEMBL7052513

SCHEMBL7052513

COc1ccc(-c2c(Cl)cncc2Cl)c2c(C(=O)CN3CCOCC3)c(C(N)=O)oc12

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
MAPT P10636 3/20 0.40
HTT P42858 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PDE4A P27815 4/20 0.38
PDE4D Q08499 4/20 0.38
PDE4B Q07343 3/20 0.38
PDE4C Q08493 3/20 0.38
MAPK1 P28482 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 1/20 0.35
HSD17B10 Q99714 1/20 0.35
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TP53 P04637 1/20 0.35
USP2 O75604 1/20 0.35
RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL7054032 0.86 PDE4A (0.35) ALDH1A1MAPTHTTMEN1KMT2A
SCHEMBL8357732 0.84 PDE4D (0.42) PDE4APDE4DPDE4BPDE4C
SCHEMBL7052278 0.77 PDE4D (0.52) PDE4APDE4DPDE4BPDE4CPOLB
SCHEMBL7054654 0.75 PDE4D (0.44) PDE4APDE4DPDE4BPDE4C
SCHEMBL7052696 0.74 PDE4D (0.44) ALDH1A1PDE4APDE4DPDE4BPDE4C
Morpholine SCHEMBL7050559 0.74 PDE4B (0.37) PDE4APDE4DPDE4BPDE4C
SCHEMBL7052721 0.73 PDE4D (0.43) PDE4APDE4DPDE4BPDE4C
SCHEMBL7053281 0.72 PDE4D (0.46) PDE4APDE4DPDE4BPDE4C
SCHEMBL7056176 0.72 PDE4D (0.48) PDE4APDE4DPDE4BPDE4C
SCHEMBL7055197 0.72 PDE4B (0.37) ALDH1A1PDE4APDE4DPDE4BPDE4C

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