SCHEMBL5221067

SCHEMBL5221067

COC(=O)c1ccc(NC(=O)c2cc(OCc3cc(C)on3)c3cc(C)oc3c2)nc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GCK P35557 16/20 0.51
KCNH2 Q12809 3/20 0.49
NOX1 Q9Y5S8 1/20 0.46
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL2654604 0.92 GCK (0.51) GCKKCNH2NOX1ALDH1A1MAPK1
SCHEMBL5221627 0.89 NOX1 (0.45) GCKKCNH2NOX1ALDH1A1MAPK1
SCHEMBL5222914 0.86 NOX1 (0.42) GCKKCNH2NOX1HTTSMN1; SMN2
SCHEMBL2655556 0.84 GCK (0.52) GCKKCNH2
SCHEMBL2654597 0.81 GCK (0.44) GCKNOX1ALDH1A1MAPK1HTT
SCHEMBL10253149 0.80 GCK (0.75) GCKKCNH2
SCHEMBL2666934 0.79 NOX1 (0.44) GCKKCNH2NOX1ALDH1A1MAPK1
SCHEMBL5219604 0.78 GCK (0.52) GCKKCNH2
SCHEMBL5218574 0.78 PTGER1 (0.44) GCKKCNH2NOX1HTTSMN1; SMN2
SCHEMBL2650573 0.77 GCK (0.54) GCKALDH1A1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1578745-B1 BENZOFURAN DERIVATivES, PROCESS FOR THEIR PREPARATION AND INTERMEDIATES THEREOF ASTRAZENECA AB (SE) 2007-11-14 EP disclosed