SCHEMBL7054520

SCHEMBL7054520

COc1ccc(C(=O)O)c2cc(C(=O)c3nccs3)oc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 12/20 0.47
PDE4B Q07343 12/20 0.47
PDE4C Q08493 12/20 0.47
PDE4D Q08499 12/20 0.47
ECE1 P42892 1/20 0.40
AHR P35869 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPK1 P28482 3/20 0.38
LMNA P02545 1/20 0.38
KCNMA1 Q12791 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA3 P07451 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37

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
SCHEMBL7053222 0.85 F2RL3 (0.42) PDE4APDE4BPDE4CPDE4DECE1
SCHEMBL7051138 0.80 PDE4B (0.66) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL7050590 0.80 RAB9A (0.43) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL7056726 0.79 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL6839328 0.78 SMN1; SMN2 (0.62) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL7053276 0.78 RAB9A (0.62) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL7051399 0.76 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL6839386 0.72 PDE4A (0.48) PDE4APDE4BPDE4CPDE4D
SCHEMBL7053236 0.72 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL7053234 0.72 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DSMN1; SMN2

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 4 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-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
WO-1997044337-A1 BENZOFURAN CARBOXAMIDES AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LIMITED (GB) 1997-11-27 WO disclosed