SCHEMBL9285137

SCHEMBL9285137

O=[N+]([O-])C(O)C(Br)[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
HPGD P15428 1/20 0.47
HIF1A Q16665 1/20 0.47
CA5A P35218 1/20 0.32
CA5B Q9Y2D0 1/20 0.32

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
SCHEMBL92211 0.80
SCHEMBL6235669 0.79
SCHEMBL4008463 0.79
SCHEMBL10545677 0.76 ALDH1A1 (0.41) ALDH1A1HPGDHIF1A
SCHEMBL10454706 0.74
SCHEMBL3770475 0.74
SCHEMBL13619975 0.73
SCHEMBL7781963 0.71
SCHEMBL2286647 0.71 ALDH1A1 (0.39) ALDH1A1HPGDHIF1ACA5ACA5B
SCHEMBL1703156 0.71 ALDH1A1 (0.36) ALDH1A1HPGDHIF1A

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
US-5411990-A Dioxime derivative YOSHITOMI PHARMACEUTICAL INDUSTRIES LTD. (JP) 1995-05-02 US disclosed