SCHEMBL20534817

SCHEMBL20534817

N#Cc1ccc(-c2ccc3oc(C(N)=O)c(N)c3c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.56
ALDH1A1 P00352 5/20 0.56
HPGD P15428 4/20 0.56
HSD17B10 Q99714 4/20 0.56
PGR P06401 1/20 0.45
MAP4K4 O95819 1/20 0.44
TNKS O95271 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
TP53 P04637 1/20 0.39
HTT P42858 1/20 0.39
PARP1 P09874 1/20 0.39
CASP1 P29466 2/20 0.39
NPC1 O15118 2/20 0.39
MAPT P10636 2/20 0.39
RAB9A P51151 2/20 0.39
MMP2 P08253 1/20 0.39
ADORA2A P29274 1/20 0.39
PLAU P00749 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL20535051 0.89 KDM4E (0.46) KDM4EALDH1A1HPGDHSD17B10PGR
SCHEMBL20535952 0.88 ALDH1A1 (0.52) KDM4EALDH1A1HPGDHSD17B10PGR
SCHEMBL20535680 0.83 KDM4E (0.61) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL20535044 0.83 KDM4E (0.61) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL20535014 0.82 KDM4E (0.78) KDM4EALDH1A1HPGDHSD17B10MAP4K4
SCHEMBL20535672 0.82 KDM4E (0.60) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL20535965 0.82 KDM4E (0.60) KDM4EALDH1A1HPGDHSD17B10PGR
SCHEMBL20535671 0.80 ALDH1A1 (0.51) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL20534973 0.79 KDM4E (0.60) KDM4EALDH1A1HPGDHSD17B10TNKS
SCHEMBL20535803 0.78 KDM4E (0.62) KDM4EALDH1A1HPGDHSD17B10MAP4K4

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