SCHEMBL20535671

SCHEMBL20535671

N#Cc1ccccc1-c1ccc2oc(C(N)=O)c(N)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
HSD17B10 Q99714 6/20 0.51
KDM4E B2RXH2 5/20 0.51
HPGD P15428 4/20 0.51
CDC7 O00311 1/20 0.41
ESR2 Q92731 1/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
MAPT P10636 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ADORA2A P29274 1/20 0.41
CASP1 P29466 1/20 0.41
CYP1A2 P05177 8/20 0.40
CYP3A4 P08684 8/20 0.40
CLK4 Q9HAZ1 4/20 0.40
MAPK1 P28482 2/20 0.40
CYP2C19 P33261 4/20 0.40
ALOX15 P16050 1/20 0.40
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40

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
SCHEMBL20534832 0.90 ALDH1A1 (0.42) ALDH1A1HSD17B10KDM4EHPGDCDC7
SCHEMBL20535274 0.82 KDM4E (0.56) ALDH1A1HSD17B10KDM4EHPGDESR2
SCHEMBL20535048 0.81 KDM4E (0.55) ALDH1A1HSD17B10KDM4EHPGDNPC1
SCHEMBL20535663 0.81 KDM4E (0.55) ALDH1A1HSD17B10KDM4EHPGDNPC1
SCHEMBL20534896 0.81 KDM4E (0.62) ALDH1A1HSD17B10KDM4EHPGDNPC1
SCHEMBL20534817 0.80 KDM4E (0.56) ALDH1A1HSD17B10KDM4EHPGDNPC1
SCHEMBL20535952 0.79 ALDH1A1 (0.52) ALDH1A1HSD17B10KDM4EHPGDCDC7
SCHEMBL20535044 0.79 KDM4E (0.61) ALDH1A1HSD17B10KDM4EHPGDNPC1
SCHEMBL20535529 0.78 ALDH1A1 (0.51) ALDH1A1HSD17B10KDM4EHPGDNPC1
SCHEMBL20535941 0.77 ALDH1A1 (0.50) ALDH1A1HSD17B10KDM4EHPGDCDC7

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