SCHEMBL20535441

SCHEMBL20535441

NC(=O)c1oc2cc(-c3cc(O)cc(O)c3)ccc2c1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
HSD17B10 Q99714 2/20 0.50
NPC1 O15118 2/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
LCK P06239 1/20 0.38
CLK1 P49759 1/20 0.37
ABL1 P00519 3/20 0.36
ABCB1 P08183 3/20 0.36
BCR P11274 3/20 0.36
HDAC1 Q13547 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
AKR1B1 P15121 1/20 0.35
MPO P05164 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP19A1 P11511 1/20 0.35

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 0.91 KDM4E (0.50) KDM4EALDH1A1HPGDHSD17B10NPC1
SCHEMBL20535054 0.91 KDM4E (0.50) KDM4EALDH1A1HPGDHSD17B10NPC1
SCHEMBL20534989 0.87 KDM4E (0.49) KDM4EALDH1A1HPGDHSD17B10NPC1
SCHEMBL20535434 0.86 KDM4E (0.51) KDM4EALDH1A1HPGDHSD17B10NPC1
SCHEMBL13699672 0.85 KDM4E (0.50) KDM4EALDH1A1HPGDHSD17B10NPC1
SCHEMBL20535050 0.84 SMN1; SMN2 (0.49) KDM4EALDH1A1HPGDHSD17B10NPC1
SCHEMBL20535528 0.82 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10NPC1
SCHEMBL20535444 0.81 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10NPC1
SCHEMBL20534970 0.80 ALDH1A1 (0.46) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL20535206 0.80 CA1 (0.48) KDM4EALDH1A1HPGDHSD17B10NPC1

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