Sulfuric Acid

Sulfuric Acid

SCHEMBL3440649

Cl.O=C1N=NC(Cl)c2ccccc21.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 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
S100A4 P26447 1/20 0.33
POLB P06746 1/20 0.33
EDNRB P24530 1/20 0.33
EDNRA P25101 1/20 0.33
ALDH1A1 P00352 1/20 0.31
IDO1 P14902 1/20 0.31
DNMT1 P26358 1/20 0.31
DNMT3L Q9UJW3 1/20 0.31
DNMT3A Q9Y6K1 1/20 0.31
APAF1 O14727 1/20 0.31
TDP2 O95551 1/20 0.31
CDC25B P30305 1/20 0.30

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
SCHEMBL6314591 0.75 MEN1 (0.40) MEN1KMT2APOLBEDNRBEDNRA
SCHEMBL11411069 0.68 POLB (0.40) MEN1KMT2APOLBALDH1A1
SCHEMBL4060635 0.68 MEN1 (0.40) MEN1KMT2AS100A4POLBEDNRB
SCHEMBL1032657 0.68 KMT2A (0.40) MEN1KMT2APOLBALDH1A1CDC25B
SCHEMBL11052520 0.68 POLB (0.40) MEN1KMT2AS100A4POLBEDNRB
SCHEMBL9617399 0.68 MEN1 (0.40) MEN1KMT2AS100A4POLBEDNRB
SCHEMBL11416663 0.68 MEN1 (0.36) MEN1KMT2APOLBEDNRBEDNRA
SCHEMBL7892212 0.67 ALDH1A1 (0.41) MEN1KMT2APOLBALDH1A1
SCHEMBL8011185 0.66 ALDH1A1 (0.46) MEN1KMT2APOLBEDNRBEDNRA
SCHEMBL10670754 0.66 MEN1 (0.38) MEN1KMT2APOLBEDNRBEDNRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7807830-B2 Manufacture of pure hydralazine salts NAVINTA LLC (US) 2010-10-05 US disclosed
US-20090187018-A1 temperature-assisted dissolution of hydralazine. HCl in an aqueous solvent ( ethanol, methanol, tetrahydrofuran), treatment of the solution with a clarifying agent selected from chelating agents (EDTA), activated carbon, filtration to remove chelate compounds, cooling to precipitate hydralazine.HCl NAVINTA LLC (US) 2009-07-23 US disclosed
US-7531653-B2 Manufacture of pure hydralazine salts NAVINTA LLC (US) 2009-05-12 US disclosed
US-20070129546-A1 Manufacture of pure hydralazine salts NAVINTA LLC 2007-06-07 US disclosed