SCHEMBL8436151

SCHEMBL8436151

N=CNC(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.49
IDO1 P14902 2/20 0.49
AKR1C3 P42330 1/20 0.48
TGM2 P21980 1/20 0.47
ALDH1A1 P00352 3/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 2/20 0.46
HTR2A P28223 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL27669846 0.87 IDO1 (0.50) RAB9AIDO1AKR1C3TGM2ALDH1A1
SCHEMBL9132422 0.85 ALDH1A1 (0.49) RAB9AIDO1AKR1C3ALDH1A1MAPT
SCHEMBL2299040 0.84 IDO1 (0.58) RAB9AIDO1AKR1C3ALDH1A1MAPT
SCHEMBL11165857 0.83 IDO1 (0.53) RAB9AIDO1AKR1C3ALDH1A1MAPT
SCHEMBL11161448 0.81 IDO1 (0.54) RAB9AIDO1AKR1C3ALDH1A1MAPT
SCHEMBL11161443 0.81 IDO1 (0.54) RAB9AIDO1AKR1C3ALDH1A1MAPT
SCHEMBL8439536 0.81 HTT (0.50) RAB9AIDO1AKR1C3ALDH1A1MAPT
SCHEMBL27388024 0.81 IDO1 (0.51) RAB9AIDO1AKR1C3ALDH1A1MAPT
SCHEMBL6046636 0.80 RAB9A (0.59) RAB9AIDO1AKR1C3ALDH1A1MAPT
SCHEMBL10500161 0.80 DPP8 (0.58) RAB9AIDO1AKR1C3TGM2ALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-59212460-A None JP disclosed
US-5866564-A STABILITY SANKYO COMPANY, LIMITED (JP) 1999-02-02 US disclosed
EP-0518558-B1 1-Methylcarbapenem derivatives, their preparation and their use as antibiotics SANKYO CO (JP) 1998-09-02 EP disclosed
US-5712267-A Carbapenem derivatives, their preparation and their use as antibiotics SANKYO COMPANY,. LIMITED (JP) 1998-01-27 US disclosed
EP-0560613-A1 Antimicrobial carbapenem derivatives, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1993-09-15 EP disclosed
EP-0518558-A1 1-Methylcarbapenem derivatives, their preparation and their use as antibiotics Sankyo Company Limited (JP) 1992-12-16 EP disclosed
JP-S59212460-A N-SUBSTITUTED AMIDINE DERIVATIVE AND PRODUCTION THEREOF SANKYO CO LTD 1984-12-01 JP disclosed