SCHEMBL5221627

SCHEMBL5221627

COC(=O)c1ccc(NC(=O)c2cc(OCc3cc(C)on3)c3ccoc3c2)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 1/20 0.45
ALDH1A1 P00352 3/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 7/20 0.41
HTT P42858 1/20 0.41
NPC1 O15118 9/20 0.40
RAB9A P51151 9/20 0.40
TP53 P04637 5/20 0.40
GCK P35557 3/20 0.39
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
KCNH2 Q12809 1/20 0.38
TSHR P16473 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
GAA P10253 1/20 0.37
PAX8 Q06710 1/20 0.37
GABRA5 P31644 1/20 0.36

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
SCHEMBL2654597 0.92 GCK (0.44) NOX1ALDH1A1MAPK1SMN1; SMN2HTT
SCHEMBL2666934 0.91 NOX1 (0.44) NOX1ALDH1A1MAPK1SMN1; SMN2HTT
SCHEMBL5221067 0.89 GCK (0.51) NOX1ALDH1A1MAPK1SMN1; SMN2HTT
SCHEMBL5226263 0.87 NOX1 (0.42) NOX1ALDH1A1MAPK1HTTRAB9A
SCHEMBL5217769 0.81 GCK (0.55) NOX1GCKTSHRMEN1MAPT
SCHEMBL2654604 0.81 GCK (0.51) NOX1ALDH1A1MAPK1SMN1; SMN2HTT
SCHEMBL5218374 0.79 PTGER1 (0.45) NOX1ALDH1A1MAPK1SMN1; SMN2HTT
SCHEMBL2650573 0.77 GCK (0.54) ALDH1A1SMN1; SMN2NPC1RAB9ATP53
SCHEMBL5222914 0.73 NOX1 (0.42) NOX1SMN1; SMN2HTTGCKKCNH2
SCHEMBL2655556 0.72 GCK (0.52) GCKKCNH2

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