SCHEMBL9166120

SCHEMBL9166120

ONc1ccc(OBOc2ccc(NO)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.42
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 1/20 0.39
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
MAPK1 P28482 1/20 0.32
RECQL P46063 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
ALOX12 P18054 1/20 0.31

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
SCHEMBL8410091 0.74 IDO1 (0.67) IDO1ALDH1A1HSD17B10RAB9AKDM4E
SCHEMBL11222030 0.72 RAB9A (0.64) ALDH1A1NPC1RAB9AKDM4EGAA
SCHEMBL15239247 0.72 IDO1 (0.43) IDO1ALDH1A1HSD17B10NPC1RAB9A
SCHEMBL2894776 0.72 KMT2A (0.66) ALDH1A1HSD17B10NPC1RAB9AKDM4E
SCHEMBL67321 0.70 ESR2 (0.55) ALDH1A1HSD17B10NPC1RAB9AKDM4E
SCHEMBL1197399 0.70 SMN1; SMN2 (0.61) ALDH1A1NPC1RAB9AGAAMAPT
SCHEMBL17005531 0.70 ALDH1A1 (0.48) ALDH1A1NPC1RAB9AGAAHPGD
SCHEMBL9544540 0.70 SCN9A (0.44) NPC1RAB9AKDM4EGAAMAPT
SCHEMBL18609949 0.68 IDO1 (0.59) IDO1ALDH1A1NPC1RAB9AMAPT
SCHEMBL321265 0.67 PGR (0.59) ALDH1A1NPC1RAB9AKDM4EGAA

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
EP-0455225-B1 Method for measuring the percentage of glycation of a particular protein NACALAI TESQUE INC (JP) 1995-03-29 EP disclosed
EP-0455225-A2 Method for measuring the percentage of glycation of a particular protein NACALAI TESQUE, INC. (JP) 1991-11-06 EP disclosed