Sulfurous Acid

Sulfurous Acid

SCHEMBL7300543

N=C(N)N1CCOC(COC(=O)[C@@H](Cc2c[nH]c3ccccc23)NS(=O)(=O)c2ccc3ccccc3c2)C1.O=C(O)[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc2ccccc2c1.O=S(O)O

nearest known ligand 0.60

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Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2 P00734 9/20 0.60
MMP2 P08253 8/20 0.48
MMP9 P14780 8/20 0.48
MMP3 P08254 1/20 0.47
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
KCNA5 P22460 1/20 0.46

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
SCHEMBL8972382 0.95 F2 (0.65) F2MMP2MMP9MMP3KCNA5
Sulfurous Acid SCHEMBL8577297 0.88 F2 (0.74) F2
Sulfurous Acid SCHEMBL7290120 0.88 F2 (0.74) F2
Sulfurous Acid SCHEMBL7298787 0.86 F2 (0.77) F2KCNA5
SCHEMBL8972390 0.85 F2 (0.78) F2
SCHEMBL8972379 0.85 F2 (0.78) F2
SCHEMBL7290379 0.79 F2 (0.73) F2KCNA5
Sulfurous Acid SCHEMBL7294729 0.79 F2 (0.95) F2
Sulfurous Acid SCHEMBL7295109 0.79 F2 (0.95) F2
Sulfurous Acid SCHEMBL7292725 0.79 F2 (0.95) 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-B1 Guanidins HOFFMANN LA ROCHE (CH) 1994-09-21 EP disclosed