SCHEMBL20535952

SCHEMBL20535952

N#Cc1cccc(-c2ccc3oc(C(N)=O)c(N)c3c2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
KDM4E B2RXH2 4/20 0.52
HPGD P15428 3/20 0.52
HSD17B10 Q99714 2/20 0.52
PGR P06401 1/20 0.48
MAP4K4 O95819 1/20 0.47
IKBKB O14920 1/20 0.46
CHUK O15111 1/20 0.46
XDH P47989 2/20 0.44
SLC22A12 Q96S37 1/20 0.44
CDC7 O00311 1/20 0.41
PLG P00747 1/20 0.41
PLAU P00749 1/20 0.41
CSF1R P07333 1/20 0.41
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CLK4 Q9HAZ1 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
NPC1 O15118 2/20 0.39
MAPT P10636 2/20 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
SCHEMBL20535012 0.90 PGR (0.45) ALDH1A1KDM4EHPGDHSD17B10PGR
SCHEMBL20534817 0.88 KDM4E (0.56) ALDH1A1KDM4EHPGDHSD17B10PGR
SCHEMBL20535044 0.83 KDM4E (0.61) ALDH1A1KDM4EHPGDHSD17B10IKBKB
SCHEMBL20535675 0.82 ALDH1A1 (0.57) ALDH1A1KDM4EHPGDHSD17B10MAP4K4
SCHEMBL20534966 0.81 KDM4E (0.72) ALDH1A1KDM4EHPGDHSD17B10MAP4K4
SCHEMBL20535057 0.81 KDM4E (0.56) ALDH1A1KDM4EHPGDHSD17B10CDC7
SCHEMBL20534824 0.81 KDM4E (0.59) ALDH1A1KDM4EHPGDHSD17B10MAP4K4
SCHEMBL20535671 0.79 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDHSD17B10CDC7
SCHEMBL20535051 0.78 KDM4E (0.46) ALDH1A1KDM4EHPGDHSD17B10PGR
SCHEMBL20535680 0.77 KDM4E (0.61) ALDH1A1KDM4EHPGDHSD17B10CYP1A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018189683-A1 BENZOFURAN DERIVATIVES FOR USE AS AMPK ACTIVATORS UNIVERSITA' DI PISA (IT) 2018-10-18 WO claimed
WO-2018189683-A1 BENZOFURAN DERIVATIVES FOR USE AS AMPK ACTIVATORS UNIVERSITA' DI PISA (IT) 2018-10-18 WO disclosed