Sulfurous Acid

Sulfurous Acid

SCHEMBL7298787

N=C(N)N1CCC[C@H](COC(=O)[C@@H](Cc2c[nH]c3ccccc23)NS(=O)(=O)c2ccc3ccccc3c2)C1.O=S(O)O

nearest known ligand 0.77

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Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F2 P00734 19/20 0.77
KCNA5 P22460 1/20 0.51
KCNH2 Q12809 1/20 0.51

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
SCHEMBL7290379 0.92 F2 (0.73) F2KCNA5KCNH2
Sulfurous Acid SCHEMBL7295109 0.90 F2 (0.95) F2
Sulfurous Acid SCHEMBL7292725 0.90 F2 (0.95) F2
Sulfurous Acid SCHEMBL7294729 0.90 F2 (0.95) F2
SCHEMBL7290540 0.86 F2 (0.64) F2KCNA5KCNH2
Sulfurous Acid SCHEMBL7300543 0.86 F2 (0.60) F2KCNA5
SCHEMBL8972382 0.84 F2 (0.65) F2KCNA5KCNH2
Hydrochloric Acid SCHEMBL8919175 0.84 F2 (0.96) F2
Hydrochloric Acid SCHEMBL7293421 0.84 F2 (0.96) F2
Sulfurous Acid SCHEMBL8920332 0.84 F2 (0.83) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0468231-B1 Guanidins HOFFMANN LA ROCHE (CH) 1994-09-21 EP disclosed
EP-0468231-A2 Guanidins F. HOFFMANN-LA ROCHE AG (CH) 1992-01-29 EP disclosed