Sulfuric Acid

Sulfuric Acid

SCHEMBL457707

O=S(=O)([O-])O.Oc1ccc(O)c(-[n+]2ccccc2)c1

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

CYP51cyp51Acyp51c

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 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.43
▸ POLB P06746 3/20 0.40
▸ GAA P10253 2/20 0.40
▸ GFER P55789 1/20 0.40
▸ HSD17B10 Q99714 3/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ HPGD P15428 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ CA12 O43570 3/20 0.36
▸ CA1 P00915 3/20 0.36
▸ CA2 P00918 3/20 0.36
▸ CA9 Q16790 3/20 0.36
▸ CA14 Q9ULX7 2/20 0.36
▸ ALPL P05186 1/20 0.36
▸ ALPI P09923 1/20 0.36
▸ ALPG P10696 1/20 0.36
▸ DNMT1 P26358 1/20 0.36
▸ MCL1 Q07820 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL457558 0.88 POLB (0.46) PTGS1POLBGAAGFERALDH1A1
SCHEMBL31307331 0.88 CA12 (0.39) POLBGAAGFERHSD17B10ALDH1A1
SCHEMBL458456 0.88 CA12 (0.39) POLBGAAGFERHSD17B10ALDH1A1
Bromide SCHEMBL454874 0.86 CA12 (0.38) POLBGAAGFERHSD17B10ALDH1A1
Hydrochloric Acid SCHEMBL454032 0.86 CA12 (0.38) POLBGAAGFERHSD17B10ALDH1A1
SCHEMBL457069 0.84 PTGS1 (0.40) PTGS1POLBGAAGFERHSD17B10
Acetic Acid SCHEMBL457559 0.83 CA12 (0.39) PTGS1POLBGAAGFERALDH1A1
SCHEMBL457070 0.83 PTGS1 (0.49) PTGS1POLBGAAGFERHSD17B10
Hydrochloric Acid SCHEMBL19438009 0.73 MEN1 (0.47) POLBGAAGFERALDH1A1KDM4E
Hydrochloric Acid SCHEMBL8640344 0.71 ALOX5 (0.40) HSD17B10ALDH1A1CA12CA1CA2

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
WO-2012031796-A2 AGENTS FOR COLOURING KERATINIC FIBRES WITH CATIONIC DERIVATIVES OF 1-(2,5-DIHYDROXYPHENYL)PYRIDINIUM HENKEL AG & CO. KGAA (DE) 2012-03-15 — — WO disclosed
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