Sulfuric Acid

Sulfuric Acid

SCHEMBL8745491

Nc1ccccc1N=O.O=S(=O)(O)O

nearest known ligand 0.50

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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 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.50
RAB9A P51151 2/20 0.50
NPC1 O15118 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.42
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CYP2C9 P11712 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
TTR P02766 1/20 0.38
ALOX15 P16050 3/20 0.38
CYP3A4 P08684 3/20 0.38
CASP1 P29466 2/20 0.38

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
SCHEMBL143318 0.89
Sulfuric Acid SCHEMBL29647896 0.78 ALOX15 (0.62) GAARAB9AL3MBTL1SMN1; SMN2CA12
Sulfuric Acid SCHEMBL147075 0.78 ALOX15 (0.62) GAARAB9AL3MBTL1SMN1; SMN2CA12
Sulfuric Acid SCHEMBL29559847 0.76 ALOX15 (0.59) GAARAB9AL3MBTL1SMN1; SMN2CA12
Sulfuric Acid SCHEMBL1599591 0.76 ALOX15 (0.59) GAARAB9AL3MBTL1SMN1; SMN2CA12
Sulfuric Acid SCHEMBL9452067 0.74 ALOX15 (0.56) GAARAB9AL3MBTL1SMN1; SMN2CA12
SCHEMBL5888425 0.72 GAA (0.59) GAARAB9ANPC1L3MBTL1CA12
SCHEMBL5888431 0.72 GAA (0.59) GAARAB9ANPC1L3MBTL1CA12
SCHEMBL3870157 0.71 MYC (0.41) SMN1; SMN2TTRCYP1A2TSHRMAPT
SCHEMBL24716112 0.71 MMP2 (0.47) GAARAB9ANPC1L3MBTL1SMN1; SMN2

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-0621260-B1 Process for producing N,N-disubstituted p-phenylenediamine derivative sulphate WAKO PURE CHEM IND LTD (JP) 1997-02-05 EP disclosed
US-5475140-A Process for producing N,N-disubstituted p-phenylenediamine derivative sulfate WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1995-12-12 US disclosed
EP-0621260-A1 Process for producing N,N-disubstituted p-phenylenediamine derivative sulphate WAKO PURE CHEMICAL INDUSTRIES LTD (JP) 1994-10-26 EP disclosed