SCHEMBL20535529

SCHEMBL20535529

NC(=O)c1oc2ccc(-c3ccccc3C(F)(F)F)cc2c1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
HPGD P15428 2/20 0.51
HSD17B10 Q99714 2/20 0.51
KDM4E B2RXH2 2/20 0.51
SCN9A Q15858 6/20 0.43
SLC9A1 P19634 1/20 0.42
SCN10A Q9Y5Y9 1/20 0.42
BACE1 P56817 1/20 0.41
NPC1 O15118 3/20 0.41
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
RAB9A P51151 2/20 0.41
ADORA2A P29274 1/20 0.41
CASP1 P29466 1/20 0.41
CYP3A4 P08684 5/20 0.40
CYP1A2 P05177 4/20 0.40
CYP2C19 P33261 4/20 0.40
TSHR P16473 3/20 0.40
CLK4 Q9HAZ1 3/20 0.40
USP2 O75604 2/20 0.40

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
SCHEMBL20535275 0.90 SCN9A (0.43) ALDH1A1HPGDHSD17B10KDM4ESCN9A
SCHEMBL20535048 0.84 KDM4E (0.55) ALDH1A1HPGDHSD17B10KDM4ESLC9A1
SCHEMBL20535274 0.82 KDM4E (0.56) ALDH1A1HPGDHSD17B10KDM4ENPC1
SCHEMBL20535663 0.81 KDM4E (0.55) ALDH1A1HPGDHSD17B10KDM4ENPC1
SCHEMBL20534896 0.81 KDM4E (0.62) ALDH1A1HPGDHSD17B10KDM4ENPC1
SCHEMBL20534820 0.80 KDM4E (0.56) ALDH1A1HPGDHSD17B10KDM4ENPC1
SCHEMBL20535692 0.79 KDM4E (0.52) ALDH1A1HPGDHSD17B10KDM4ESLC9A1
SCHEMBL20535044 0.79 KDM4E (0.61) ALDH1A1HPGDHSD17B10KDM4ENPC1
SCHEMBL20535671 0.78 ALDH1A1 (0.51) ALDH1A1HPGDHSD17B10KDM4ENPC1
SCHEMBL20535941 0.77 ALDH1A1 (0.50) ALDH1A1HPGDHSD17B10KDM4ESLC9A1

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