SCHEMBL20535014

SCHEMBL20535014

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

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.78
ALDH1A1 P00352 7/20 0.78
HPGD P15428 5/20 0.78
HSD17B10 Q99714 4/20 0.78
SMN1; SMN2 Q16637 6/20 0.55
NPC1 O15118 5/20 0.49
RAB9A P51151 5/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 4/20 0.46
HTT P42858 2/20 0.46
USP2 O75604 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA3 P07451 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43

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
SCHEMBL3498056 0.88 KDM4E (0.60) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL1851374 0.88 KDM4E (1.00) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL20534966 0.87 KDM4E (0.72) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL20535680 0.87 KDM4E (0.61) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL20535044 0.87 KDM4E (0.61) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL20535965 0.85 KDM4E (0.60) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL20535672 0.85 KDM4E (0.60) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL20534973 0.82 KDM4E (0.60) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL20535803 0.82 KDM4E (0.62) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL20534817 0.82 KDM4E (0.56) KDM4EALDH1A1HPGDHSD17B10SMN1; 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