SCHEMBL10795482

SCHEMBL10795482

O=C(O)CN(Sc1ccccc1[N+](=O)[O-])c1cccs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
HTT P42858 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MMP13 P45452 1/20 0.42
GAA P10253 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GFER P55789 1/20 0.39
HPGD P15428 1/20 0.39
MAPT P10636 3/20 0.39
KDM4E B2RXH2 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ESR2 Q92731 1/20 0.38
SLC6A2 P23975 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
SCHEMBL10373336 0.82 ALDH1A1 (0.50) ALDH1A1HTTL3MBTL1MAPK1TDP1
SCHEMBL10864271 0.82 ALDH1A1 (0.50) ALDH1A1HTTL3MBTL1MAPK1TDP1
SCHEMBL11797633 0.81 ALDH1A1 (0.49) ALDH1A1HTTL3MBTL1MAPK1TDP1
Potassium Ion SCHEMBL11797628 0.72 ALDH1A1 (0.48) ALDH1A1HTTL3MBTL1MAPK1TDP1
Potassium SCHEMBL11797636 0.68 CYP1A2 (0.40) ALDH1A1HTTL3MBTL1MAPK1TDP1
SCHEMBL10811508 0.68 ALDH1A1 (0.40) ALDH1A1HTTL3MBTL1MAPK1TDP1
SCHEMBL2705062 0.67 APEX1 (0.63) ALDH1A1GAAMEN1KMT2AHPGD
SCHEMBL8099370 0.66 PDE7A (0.67) ALDH1A1HTTL3MBTL1MAPK1GAA
SCHEMBL28560637 0.65 LMNA (0.46) ALDH1A1HTTL3MBTL1TDP1GAA
SCHEMBL10373720 0.65 MMP1 (0.50) ALDH1A1HTTL3MBTL1MAPK1TDP1

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
US-4692513-A FOODS AND BEVERAGES THE PROCTER & GAMBLE COMPANY (US) 1987-09-08 US disclosed
US-4692512-A FOODS AND BEVERAGES THE PROCTER & GAMBLE COMPANY (US) 1987-09-08 US disclosed