SCHEMBL8973630

SCHEMBL8973630

N=C(N)N1CCOC(CNC(=O)[C@@H](Cc2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccc3ccccc3c2)C1

nearest known ligand 0.59

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
F2 P00734 20/20 0.59

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
SCHEMBL8973639 1.00 F2 (0.59) F2
Sulfurous Acid SCHEMBL7301101 0.97 F2 (0.56) F2
SCHEMBL8721721 0.78 F2 (0.52) F2
SCHEMBL8972431 0.75 F2 (0.54) F2
SCHEMBL8972449 0.75 F2 (0.54) F2
Hydrochloric Acid SCHEMBL8716871 0.74 F2 (0.50) F2
SCHEMBL7300396 0.74 F2 (0.49) F2
Hydrochloric Acid SCHEMBL8947545 0.73 F2 (0.49) F2
Sulfurous Acid SCHEMBL8577470 0.73 F2 (0.52) F2
Sulfurous Acid SCHEMBL7304865 0.73 F2 (0.52) 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
US-5583133-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1996-12-10 US claimed