SCHEMBL9380346

SCHEMBL9380346

CC(=O)N(C)c1ccc(C=O)cc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH3A1 P30838 2/20 0.61
ALDH5A1 P51649 1/20 0.54
ABAT P80404 1/20 0.54
VCAM1 P19320 1/20 0.50
MAPT P10636 9/20 0.48
ALDH1A1 P00352 9/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MAPK1 P28482 3/20 0.48
LMNA P02545 3/20 0.48
HPGD P15428 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
TDP1 Q9NUW8 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HCAR3 P49019 3/20 0.46
ALDH1A3 P47895 1/20 0.43
XDH P47989 1/20 0.43
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL29403345 0.83 ALDH3A1 (0.69) ALDH3A1ALDH5A1ABATVCAM1MAPT
SCHEMBL7142928 0.83 ALDH3A1 (0.69) ALDH3A1ALDH5A1ABATVCAM1MAPT
SCHEMBL2561640 0.78 ALDH3A1 (0.59) ALDH3A1ALDH5A1ABATVCAM1MAPT
SCHEMBL18110635 0.78 ALDH3A1 (0.62) ALDH3A1ALDH5A1ABATVCAM1MAPT
SCHEMBL6519620 0.78 HCAR3 (0.47) MAPTALDH1A1SMN1; SMN2MAPK1LMNA
SCHEMBL11532383 0.77 HCAR3 (0.46) MAPTALDH1A1SMN1; SMN2MAPK1LMNA
SCHEMBL12894175 0.77 ALDH1A1 (0.46) ALDH3A1MAPTALDH1A1SMN1; SMN2HCAR3
SCHEMBL9396448 0.77 POLB (0.55) MAPTALDH1A1SMN1; SMN2MAPK1LMNA
SCHEMBL2559147 0.76 ALDH3A1 (0.56) ALDH3A1ALDH5A1ABATVCAM1MAPT
SCHEMBL7427649 0.75 CRHBP (0.50) MAPTALDH1A1SMN1; SMN2MAPK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0356234-B1 New Benzazole compounds, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO (JP) 1994-05-11 EP disclosed
US-5047411-A Antiulcer Agents, H2-Receptor Antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-09-10 US disclosed
EP-0356234-A2 New Benzazole compounds, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-02-28 EP disclosed