SCHEMBL20535653

SCHEMBL20535653

NC(=O)c1oc2cc(-c3ccccc3O)ccc2c1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
HPGD P15428 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPT P10636 6/20 0.40
NPC1 O15118 5/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 6/20 0.40
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
ESR2 Q92731 1/20 0.38
LIMK1 P53667 1/20 0.38
RAB9A P51151 3/20 0.37
AHR P35869 2/20 0.37
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
AKR1C3 P42330 1/20 0.37

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
SCHEMBL20535274 0.89 KDM4E (0.56) KDM4EHPGDALDH1A1HSD17B10MAPT
SCHEMBL20534980 0.88 KDM4E (0.47) KDM4EHPGDALDH1A1HSD17B10MAPT
SCHEMBL20535271 0.85 ALDH1A1 (0.45) KDM4EHPGDALDH1A1HSD17B10MAPT
SCHEMBL20535045 0.85 KDM4E (0.51) KDM4EHPGDALDH1A1HSD17B10MAPT
SCHEMBL20535444 0.85 KDM4E (0.47) KDM4EHPGDALDH1A1HSD17B10MAPT
SCHEMBL13699672 0.83 KDM4E (0.50) KDM4EHPGDALDH1A1HSD17B10MAPT
SCHEMBL20535275 0.82 SCN9A (0.43) KDM4EHPGDALDH1A1HSD17B10MAPT
SCHEMBL20535056 0.82 ICMT (0.47) KDM4EHPGDALDH1A1MAPTNPC1
SCHEMBL20534989 0.82 KDM4E (0.49) KDM4EHPGDALDH1A1HSD17B10MAPT
SCHEMBL20535441 0.80 KDM4E (0.50) KDM4EHPGDALDH1A1HSD17B10MAPT

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