SCHEMBL20535528

SCHEMBL20535528

COc1cc(OC)cc(-c2ccc3c(N)c(C(N)=O)oc3c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.47
ALDH1A1 P00352 8/20 0.47
SMN1; SMN2 Q16637 7/20 0.47
HPGD P15428 6/20 0.47
HSD17B10 Q99714 6/20 0.47
TP53 P04637 1/20 0.47
HTT P42858 1/20 0.47
NPC1 O15118 5/20 0.45
RAB9A P51151 5/20 0.45
MAPT P10636 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
LMNA P02545 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
RXRA P19793 1/20 0.42
CA1 P00915 2/20 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
SCHEMBL20534963 0.91 KDM4E (0.52) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL20535206 0.85 CA1 (0.48) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL13699674 0.85 KDM4E (0.59) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL20535441 0.82 KDM4E (0.50) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL20535434 0.80 KDM4E (0.51) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL20535803 0.80 KDM4E (0.62) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL20535665 0.80 KDM4E (0.57) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL20535054 0.79 KDM4E (0.50) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL13699672 0.79 KDM4E (0.50) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL20534818 0.79 KDM4E (0.50) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10

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