SCHEMBL9816889

SCHEMBL9816889

CC(=O)C(=Cc1cccc([N+](=O)[O-])c1)C(N)=O

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 2/20 0.83
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
CA4 P22748 1/20 0.61
CA7 P43166 1/20 0.61
FBP1 P09467 2/20 0.55
ALDH1A1 P00352 2/20 0.49
NFE2L2 Q16236 2/20 0.49
TSHR P16473 1/20 0.49
KDM4E B2RXH2 2/20 0.48
KMT2A Q03164 2/20 0.48
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
HIF1A Q16665 1/20 0.48
VCP P55072 1/20 0.48
CYP19A1 P11511 1/20 0.48
ITGB2 P05107 1/20 0.47
ICAM1 P05362 1/20 0.47
ITGAL P20701 1/20 0.47

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
SCHEMBL9816877 1.00 GLO1 (0.83) GLO1CA1CA2CA4CA7
SCHEMBL8028846 0.91 GLO1 (1.00) GLO1CA1CA2CA4CA7
SCHEMBL9401844 0.87 GLO1 (0.86) GLO1CA1CA2CA4CA7
SCHEMBL7271725 0.87 GLO1 (0.86) GLO1CA1CA2CA4CA7
SCHEMBL7271722 0.87 GLO1 (0.86) GLO1CA1CA2CA4CA7
SCHEMBL7277503 0.87 GLO1 (0.86) GLO1CA1CA2CA4CA7
SCHEMBL10846497 0.83 GLO1 (0.79) GLO1CA1CA2CA4CA7
SCHEMBL30296654 0.83 GLO1 (0.79) GLO1CA1CA2CA4CA7
SCHEMBL6271817 0.83 GLO1 (0.79) GLO1CA1CA2CA4CA7
SCHEMBL9667966 0.83 GLO1 (0.79) GLO1CA1CA2CA4CA7

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
EP-0220653-B1 3-AMINOCARBONYL-1,4-DIHYDROPYRIDINE-5-CARBOXYLIC ACID COMPOUNDS, PROCESS FOR PREPARATION AND USE THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME Nippon Shoji Kabushiki Kaisha (JP) 1991-11-06 EP disclosed
US-4874773-A HYPOTENSIVE AGENTS, VASODILATORS NIPPON SHOJI KABUSHIKI KAISHA (JP) 1989-10-17 US disclosed