SCHEMBL7051138

SCHEMBL7051138

COc1ccc(C(=O)O)c2cc(C(=O)c3ccncc3)oc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 14/20 0.66
PDE4D Q08499 14/20 0.66
PDE4A P27815 13/20 0.66
PDE4C Q08493 13/20 0.66
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA3 P07451 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 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
SCHEMBL7054715 0.89 PDE4B (0.68) PDE4BPDE4DPDE4APDE4CRAB9A
SCHEMBL6839328 0.89 SMN1; SMN2 (0.62) PDE4BPDE4DPDE4APDE4CRAB9A
Hydrochloric Acid SCHEMBL7053217 0.88 PDE4B (0.67) PDE4BPDE4DPDE4APDE4CRAB9A
SCHEMBL7049405 0.84 PDE4A (0.59) PDE4BPDE4DPDE4APDE4CRAB9A
SCHEMBL5722911 0.83 PDE4D (0.56) PDE4BPDE4DPDE4APDE4CRAB9A
SCHEMBL7056726 0.82 PDE4A (0.62) PDE4BPDE4DPDE4APDE4CRAB9A
SCHEMBL7050561 0.80 PDE4D (1.00) PDE4BPDE4DPDE4APDE4C
SCHEMBL7054520 0.80 PDE4A (0.47) PDE4BPDE4DPDE4APDE4CRAB9A
SCHEMBL7051399 0.79 PDE4A (0.55) PDE4BPDE4DPDE4APDE4CRAB9A
SCHEMBL6837653 0.79 SMN1; SMN2 (0.60) PDE4BPDE4DPDE4APDE4CRAB9A

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-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