SCHEMBL20535692

SCHEMBL20535692

NC(=O)c1oc2ccc(-c3cccc(C(F)(F)F)c3)cc2c1N

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.52
ALDH1A1 P00352 3/20 0.52
HPGD P15428 1/20 0.52
HSD17B10 Q99714 1/20 0.52
KIF11 P52732 1/20 0.49
PGR P06401 1/20 0.48
SLC9A1 P19634 1/20 0.44
PLG P00747 1/20 0.43
PLAU P00749 1/20 0.43
PLAT P00750 1/20 0.43
PARP1 P09874 2/20 0.43
BACE1 P56817 1/20 0.42
DHODH Q02127 1/20 0.41
ICMT O60725 2/20 0.41
MAOB P27338 1/20 0.39
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39
KMO O15229 1/20 0.39

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
SCHEMBL20534820 0.88 KDM4E (0.56) KDM4EALDH1A1HPGDHSD17B10KIF11
SCHEMBL20534824 0.83 KDM4E (0.59) KDM4EALDH1A1HPGDHSD17B10SLC9A1
SCHEMBL20535044 0.83 KDM4E (0.61) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL20535675 0.82 ALDH1A1 (0.57) KDM4EALDH1A1HPGDHSD17B10PARP1
SCHEMBL20534966 0.81 KDM4E (0.72) KDM4EALDH1A1HPGDHSD17B10SLC9A1
SCHEMBL20535057 0.81 KDM4E (0.56) KDM4EALDH1A1HPGDHSD17B10PARP1
SCHEMBL20535529 0.79 ALDH1A1 (0.51) KDM4EALDH1A1HPGDHSD17B10SLC9A1
SCHEMBL20535965 0.79 KDM4E (0.60) KDM4EALDH1A1HPGDHSD17B10PGR
SCHEMBL20534970 0.78 ALDH1A1 (0.46) KDM4EALDH1A1HPGDHSD17B10KIF11
SCHEMBL20535680 0.77 KDM4E (0.61) KDM4EALDH1A1HPGDHSD17B10

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