SCHEMBL20535680

SCHEMBL20535680

NC(=O)c1oc2ccc(-c3ccc(O)cc3)cc2c1N

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.61
HSD17B10 Q99714 8/20 0.61
HPGD P15428 7/20 0.61
ALDH1A1 P00352 7/20 0.61
PTPN1 P18031 2/20 0.46
SMN1; SMN2 Q16637 8/20 0.43
RAB9A P51151 8/20 0.43
TP53 P04637 3/20 0.43
HTT P42858 1/20 0.43
NPC1 O15118 8/20 0.42
MAPT P10636 7/20 0.42
ADORA2A P29274 1/20 0.42
CASP1 P29466 1/20 0.42
CYP3A4 P08684 3/20 0.41
LMNA P02545 2/20 0.41
THRB P10828 1/20 0.41
ALOX15 P16050 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41

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
SCHEMBL20534818 0.88 KDM4E (0.50) KDM4EHSD17B10HPGDALDH1A1PTPN1
SCHEMBL20535054 0.88 KDM4E (0.50) KDM4EHSD17B10HPGDALDH1A1PTPN1
SCHEMBL20535044 0.88 KDM4E (0.61) KDM4EHSD17B10HPGDALDH1A1PTPN1
SCHEMBL12660566 0.87 KDM4E (0.69) KDM4EHSD17B10HPGDALDH1A1SMN1; SMN2
SCHEMBL20535675 0.87 ALDH1A1 (0.57) KDM4EHSD17B10HPGDALDH1A1SMN1; SMN2
SCHEMBL20534973 0.87 KDM4E (0.60) KDM4EHSD17B10HPGDALDH1A1SMN1; SMN2
SCHEMBL20535965 0.87 KDM4E (0.60) KDM4EHSD17B10HPGDALDH1A1SMN1; SMN2
SCHEMBL20535014 0.87 KDM4E (0.78) KDM4EHSD17B10HPGDALDH1A1SMN1; SMN2
SCHEMBL20535672 0.87 KDM4E (0.60) KDM4EHSD17B10HPGDALDH1A1SMN1; SMN2
SCHEMBL20534817 0.83 KDM4E (0.56) KDM4EHSD17B10HPGDALDH1A1SMN1; SMN2

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