SCHEMBL11568196

SCHEMBL11568196

CC(S)NC(=O)OC(c1ccccc1)[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.47
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 5/20 0.40
KMT2A Q03164 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GSR P00390 1/20 0.36

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
SCHEMBL27847496 0.80 KMT2A (0.46) TDP1ALDH1A1KMT2AMEN1MAPT
SCHEMBL3299147 0.78 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1HSD17B10GSR
SCHEMBL286963 0.77 GSR (0.43) TDP1ALDH1A1KMT2AL3MBTL1MAPT
SCHEMBL22323630 0.77 GSR (0.43) ALDH1A1KMT2AMEN1LMNAGSR
SCHEMBL27388028 0.77 GSR (0.36) HTTTDP1ALDH1A1KMT2AL3MBTL1
SCHEMBL5932816 0.76 GSR (0.42) TDP1ALDH1A1KMT2AL3MBTL1MAPT
SCHEMBL2208139 0.76 HPGD (0.40) ALDH1A1KMT2AMEN1MAPTGSR
Hydrochloric Acid SCHEMBL27718932 0.75 ACP1 (0.37) TDP1ALDH1A1KMT2APOLBMEN1
Methyl Alcohol SCHEMBL9278113 0.75 NPSR1 (0.41) HTTTDP1ALDH1A1KMT2AMAPT
SCHEMBL258789 0.74 GSR (0.41) ALDH1A1KMT2ALMNAGSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0002564-A1 Derivatives of 7-oxo-1-azabicyclo(3.2.0)-hept-2-ene-2-carboxylic acid, their preparation, pharmaceutical compositions containing them and intermediates BEECHAM GROUP PLC (GB) 1979-06-27 EP disclosed