SCHEMBL20534896

SCHEMBL20534896

NC(=O)c1oc2ccc(-c3ccccc3Cl)cc2c1N

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.62
ALDH1A1 P00352 4/20 0.62
HPGD P15428 4/20 0.62
HSD17B10 Q99714 2/20 0.62
SMN1; SMN2 Q16637 4/20 0.44
NPC1 O15118 6/20 0.43
RAB9A P51151 5/20 0.43
MAPT P10636 4/20 0.43
ADORA2A P29274 1/20 0.43
CASP1 P29466 1/20 0.43
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
JAK3 P52333 1/20 0.43
CNR1 P21554 4/20 0.43
CNR2 P34972 4/20 0.43
IKBKB O14920 2/20 0.42
POLB P06746 1/20 0.42
PAK1 Q13153 1/20 0.41
CYP1A2 P05177 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
SCHEMBL20535045 0.90 KDM4E (0.51) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL20535274 0.85 KDM4E (0.56) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL20535663 0.84 KDM4E (0.55) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL20535048 0.84 KDM4E (0.55) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL20535044 0.82 KDM4E (0.61) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL20535671 0.81 ALDH1A1 (0.51) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL20535529 0.81 ALDH1A1 (0.51) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL20535014 0.81 KDM4E (0.78) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL20535941 0.80 ALDH1A1 (0.50) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL20534966 0.80 KDM4E (0.72) 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