Sulfuric Acid

Sulfuric Acid

SCHEMBL11083664

CN1CCN(C)C1=N.O=S(=O)(O)O

nearest known ligand 0.33

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Known targets — ChEMBL curated mechanism

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

The experimentally established mechanism targets of Sulfuric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
INMT O95050 5/20 0.33
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
Sulfuric Acid SCHEMBL11150960 0.76 BRD4 (0.35) CA5ACA5B
SCHEMBL25337137 0.69 INMT (0.30) INMT
Sulfuric Acid SCHEMBL8471322 0.67 CYP1A2 (0.48) CA5ACA5B
N-Methyl Pyrrolidine (Nmp) SCHEMBL21616460 0.63 CA5A (0.38) CA5ACA5B
N-Methylpiperidine SCHEMBL21616470 0.61 CA1 (0.39) CA5ACA5B
Sulfuric Acid SCHEMBL669805 0.61 CA5A (0.86) CA5ACA5B
Sulfuric Acid SCHEMBL15899693 0.61 CA5A (0.86) CA5ACA5B
Sulfuric Acid SCHEMBL410140 0.61 CA5A (0.86) CA5ACA5B
Sulfuric Acid SCHEMBL5672134 0.61 CA5A (0.86) CA5ACA5B
Sulfuric Acid SCHEMBL19689578 0.61 CA5A (0.86) CA5ACA5B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0009362-B1 HETEROCYCLIC DERIVATIVES OF GUANIDINE, THEIR PREPARATION AND PHARMACEUTICAL FORMULATIONS COMPRISING THEM McNeilab, Inc. (US) 1984-06-27 EP disclosed
EP-0009362-A1 Heterocyclic derivatives of guanidine, their preparation and pharmaceutical formulations comprising them McNeilab, Inc. (US) 1980-04-02 EP disclosed
US-4182865-A HYPOGLYCEMIC AGENTS MCNEIL LABORATORIES, INC. (US) 1980-01-08 US disclosed