SCHEMBL7298404

SCHEMBL7298404

N=C(N)N1CCCC(CNC(=O)C(CC(=O)c2ccccc2[N+](=O)[O-])NS(=O)(=O)c2ccc3ccccc3c2)C1

nearest known ligand 0.73

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
F2 P00734 20/20 0.73

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
Sulfurous Acid SCHEMBL7300484 0.97 F2 (0.69) F2
SCHEMBL8921310 0.91 F2 (0.73) F2
SCHEMBL7289454 0.91 F2 (0.73) F2
SCHEMBL8921294 0.91 F2 (0.73) F2
SCHEMBL7289997 0.89 F2 (0.78) F2
SCHEMBL7298619 0.89 F2 (0.78) F2
Sulfurous Acid SCHEMBL7300216 0.87 F2 (0.74) F2
SCHEMBL8576358 0.86 F2 (0.78) F2
SCHEMBL8918425 0.86 F2 (0.78) F2
Acetic Acid SCHEMBL8917260 0.85 F2 (0.68) F2

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-0468231-A2 Guanidins F. HOFFMANN-LA ROCHE AG (CH) 1992-01-29 EP disclosed