Sulfuric Acid

Sulfuric Acid

SCHEMBL7533501

Nc1cc(O)c(N)c(N)n1.O=S(=O)(O)O

nearest known ligand 0.37

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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
NT5E P21589 3/20 0.35
MAPT P10636 3/20 0.34
KDM4E B2RXH2 3/20 0.34
GAA P10253 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HSD17B10 Q99714 2/20 0.34
MEN1 O00255 1/20 0.34
PKM P14618 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
NSD2 O96028 1/20 0.33
DUSP3 P51452 1/20 0.33
PTPN5 P54829 1/20 0.33
CASP6 P55212 1/20 0.33
PTPN11 Q06124 1/20 0.33
ALOX12 P18054 1/20 0.32
PTPN1 P18031 2/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL4395175 0.89 MAPT (0.37) MAPTGAAALDH1A1TDP1CYP3A4
Sulfuric Acid SCHEMBL9511477 0.81 ALDH1A1 (0.35) NT5EMAPTKDM4EGAAALDH1A1
Sulfuric Acid SCHEMBL8723533 0.73 MAPT (0.36) NT5EMAPTKDM4EGAAALDH1A1
SCHEMBL8517257 0.70 MAPT (0.32) MAPTGAAALDH1A1TDP1CYP3A4
SCHEMBL4625085 0.70 NQO1 (0.33) MAPTGAAALDH1A1
Sulfuric Acid SCHEMBL8723114 0.70 CA5A (0.32)
Sulfuric Acid SCHEMBL2398134 0.69 NT5E (0.34) NT5EMAPTKDM4EGAAALDH1A1
Sulfuric Acid SCHEMBL10622885 0.69 CA5A (0.30)
Sulfuric Acid SCHEMBL11468643 0.68 CA12 (0.38) NT5EMAPTKDM4EGAAALDH1A1
Sulfuric Acid SCHEMBL20815930 0.67 PDPK1 (0.34) NT5EMAPTKDM4ECA1CA2

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-1197203-A1 Hair dye composition GOLDWELL GmbH (DE) 2002-04-17 EP disclosed
EP-1103248-B1 Hair dyeing composition comprising N-ethyl-N-isopropyl-p-phenylenediamine GOLDWELL GMBH (DE) 2001-08-22 EP disclosed
EP-1103248-A1 Hair dyeing composition comprising N-ethyl-N-isopropyl-p-phenylenediamine GOLDWELL GmbH (DE) 2001-05-30 EP disclosed