Sulfuric Acid

Sulfuric Acid

SCHEMBL6853065

NCCNc1ccc(O)cc1.O=S(=O)(O)O

nearest known ligand 0.52

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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
ALDH1A1 P00352 3/20 0.52
HPGD P15428 3/20 0.52
ALOX15 P16050 3/20 0.52
CASP1 P29466 3/20 0.52
HSD17B10 Q99714 3/20 0.52
THRB P10828 2/20 0.52
TP53 P04637 1/20 0.52
CYP3A4 P08684 1/20 0.52
RECQL P46063 1/20 0.52
HIF1A Q16665 1/20 0.52
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
APP P05067 1/20 0.46
IDO1 P14902 2/20 0.40
PEPD P12955 1/20 0.39
PRSS1 P07477 5/20 0.39
LMNA P02545 1/20 0.39
CA12 O43570 1/20 0.39
CA7 P43166 1/20 0.39
CA13 Q8N1Q1 1/20 0.39

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
SCHEMBL5265160 0.90 APP (0.53) ALDH1A1HPGDALOX15CASP1HSD17B10
Hydrochloric Acid SCHEMBL28710007 0.88 APP (0.52) ALDH1A1HPGDALOX15CASP1HSD17B10
SCHEMBL9800407 0.81 TSHR (0.47) ALDH1A1CYP3A4CA1CA2LMNA
SCHEMBL29145936 0.78 APP (0.47) ALDH1A1HPGDALOX15CASP1HSD17B10
SCHEMBL28989551 0.78 APP (0.47) ALDH1A1HPGDALOX15CASP1HSD17B10
Sulfuric Acid SCHEMBL27684421 0.78 CYP3A4 (0.53) ALDH1A1HPGDALOX15CASP1HSD17B10
Sulfuric Acid SCHEMBL9450963 0.78 ALDH1A1 (0.57) ALDH1A1HPGDALOX15CASP1HSD17B10
SCHEMBL6563767 0.77 GAA (0.41) CA1CA2PRSS1CA12GAA
SCHEMBL1161861 0.76 APP (0.55) ALDH1A1HPGDALOX15CASP1HSD17B10
Sulfuric Acid SCHEMBL9257267 0.76 ALDH1A1 (0.61) ALDH1A1HPGDALOX15CASP1HSD17B10

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
US-6828443-B1 Dyes and colorants HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-12-07 US disclosed