SCHEMBL10864271

SCHEMBL10864271

O=C(O)CN(Sc1ccccc1[N+](=O)[O-])c1ccccc1.O=C(O)CN(Sc1ccccc1[N+](=O)[O-])c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
MMP13 P45452 1/20 0.46
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
MAPT P10636 3/20 0.44
KDM4E B2RXH2 2/20 0.44
GAA P10253 1/20 0.44
KDM4A O75164 1/20 0.43
TDP2 O95551 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
PDE7A Q13946 1/20 0.41

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
SCHEMBL10373336 1.00 ALDH1A1 (0.50) ALDH1A1MAPK1HTTTDP1L3MBTL1
SCHEMBL11797633 0.99 ALDH1A1 (0.49) ALDH1A1MAPK1HTTTDP1L3MBTL1
Potassium Ion SCHEMBL11797628 0.89 ALDH1A1 (0.48) ALDH1A1MAPK1HTTTDP1L3MBTL1
SCHEMBL10813723 0.85 ALDH1A1 (0.48) ALDH1A1MAPK1HTTTDP1L3MBTL1
SCHEMBL10795482 0.82 ALDH1A1 (0.45) ALDH1A1MAPK1HTTTDP1L3MBTL1
SCHEMBL10811508 0.78 ALDH1A1 (0.40) ALDH1A1MAPK1HTTTDP1L3MBTL1
Potassium SCHEMBL11797636 0.73 CYP1A2 (0.40) ALDH1A1MAPK1HTTTDP1L3MBTL1
SCHEMBL2705062 0.72 APEX1 (0.63) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL27447186 0.72 CYP1A2 (0.43) ALDH1A1TDP1L3MBTL1MEN1KMT2A
SCHEMBL27446992 0.71 CTSD (0.43) ALDH1A1TDP1MEN1KMT2AMAPT

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-0168112-A2 Alpha-L-aspartyl-D-phenylglycine esters and amides useful as high intensity sweeteners THE PROCTER & GAMBLE COMPANY (US) 1986-01-15 EP disclosed