SCHEMBL20535941

SCHEMBL20535941

NC(=O)c1oc2ccc(-c3ccccc3[N+](=O)[O-])cc2c1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
NPC1 O15118 4/20 0.50
RAB9A P51151 3/20 0.50
KDM4E B2RXH2 2/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
LMNA P02545 1/20 0.43
SLC9A1 P19634 1/20 0.43
CDC7 O00311 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
GABRB2 P47870 1/20 0.42

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
SCHEMBL20535047 0.91 SLC9A1 (0.43) ALDH1A1NPC1RAB9AKDM4EHPGD
SCHEMBL20535274 0.81 KDM4E (0.56) ALDH1A1NPC1RAB9AKDM4EHPGD
SCHEMBL20535048 0.80 KDM4E (0.55) ALDH1A1NPC1RAB9AKDM4EHPGD
SCHEMBL20534896 0.80 KDM4E (0.62) ALDH1A1NPC1RAB9AKDM4EHPGD
SCHEMBL20535663 0.80 KDM4E (0.55) ALDH1A1NPC1RAB9AKDM4EHPGD
SCHEMBL20534986 0.80 NPC1 (0.57) ALDH1A1NPC1RAB9AKDM4EHPGD
SCHEMBL20535044 0.78 KDM4E (0.61) ALDH1A1NPC1RAB9AKDM4EHPGD
SCHEMBL20535529 0.77 ALDH1A1 (0.51) ALDH1A1NPC1RAB9AKDM4EHPGD
SCHEMBL20535671 0.77 ALDH1A1 (0.51) ALDH1A1NPC1RAB9AKDM4EHPGD
SCHEMBL17706812 0.77 ALDH1A1 (0.58) ALDH1A1NPC1RAB9AKDM4EHPGD

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