SCHEMBL20534832

SCHEMBL20534832

N#Cc1ccccc1-c1ccc2c(N)c(C(N)=O)oc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
HSD17B10 Q99714 4/20 0.42
KDM4E B2RXH2 3/20 0.42
HPGD P15428 2/20 0.42
ESR2 Q92731 1/20 0.41
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
CDC7 O00311 1/20 0.39
CYP1A2 P05177 3/20 0.38
CYP3A4 P08684 3/20 0.38
CLK4 Q9HAZ1 2/20 0.38
MAPK1 P28482 1/20 0.38
MYC P01106 1/20 0.38
WDR5 P61964 1/20 0.38
NPC1 O15118 2/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 1/20 0.37
PTPN5 P54829 1/20 0.37
CTSA P10619 1/20 0.36
TRPA1 O75762 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
SCHEMBL20535671 0.90 ALDH1A1 (0.51) ALDH1A1HSD17B10KDM4EHPGDESR2
SCHEMBL20534980 0.83 KDM4E (0.47) ALDH1A1HSD17B10KDM4EHPGDNPC1
SCHEMBL20535653 0.82 KDM4E (0.46) ALDH1A1HSD17B10KDM4EHPGDESR2
SCHEMBL20535271 0.81 ALDH1A1 (0.45) ALDH1A1HSD17B10KDM4EHPGDALOX5AP
SCHEMBL20535045 0.81 KDM4E (0.51) ALDH1A1HSD17B10KDM4EHPGDNPC1
SCHEMBL20535051 0.80 KDM4E (0.46) ALDH1A1HSD17B10KDM4EHPGDCYP3A4
SCHEMBL20535012 0.79 PGR (0.45) ALDH1A1HSD17B10KDM4EHPGDCDC7
SCHEMBL13699672 0.79 KDM4E (0.50) ALDH1A1HSD17B10KDM4EHPGDNPC1
SCHEMBL20535056 0.78 ICMT (0.47) ALDH1A1KDM4EHPGDNPC1MAPT
SCHEMBL20535275 0.78 SCN9A (0.43) ALDH1A1HSD17B10KDM4EHPGDALOX5AP

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