Sulfuric Acid

Sulfuric Acid

SCHEMBL6937596

Nc1ccc(N)c(CO)c1.O=S(=O)(O)O

nearest known ligand 0.55

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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 7/20 0.55
TSHR P16473 3/20 0.55
RECQL P46063 3/20 0.55
HSD17B10 Q99714 3/20 0.55
THRB P10828 2/20 0.55
CYP3A4 P08684 2/20 0.55
ALOX15 P16050 2/20 0.55
HPGD P15428 1/20 0.55
CASP1 P29466 1/20 0.55
PKM P14618 3/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 2/20 0.41
RAB9A P51151 1/20 0.41
NT5E P21589 2/20 0.39
TDP1 Q9NUW8 4/20 0.38
POLB P06746 2/20 0.38
APEX1 P27695 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
SCHEMBL33604 0.89 PRKCI (0.41) ALDH1A1TSHRRECQLHSD17B10THRB
SCHEMBL29437148 0.89 PRKCI (0.41) ALDH1A1TSHRRECQLHSD17B10THRB
Hydrochloric Acid SCHEMBL11286227 0.87 MAPT (0.43) ALDH1A1TSHRRECQLHSD17B10THRB
Sulfuric Acid SCHEMBL29836019 0.85 ALDH1A1 (0.52) ALDH1A1TSHRRECQLHSD17B10THRB
Sulfuric Acid SCHEMBL672183 0.85 ALDH1A1 (0.52) ALDH1A1TSHRRECQLHSD17B10THRB
Sulfuric Acid SCHEMBL6680851 0.84 ALDH1A1 (0.55) ALDH1A1TSHRRECQLHSD17B10THRB
Sulfuric Acid SCHEMBL6836529 0.84 ALDH1A1 (0.55) ALDH1A1TSHRRECQLHSD17B10THRB
Sulfuric Acid SCHEMBL28619660 0.83 ALDH1A1 (0.50) ALDH1A1TSHRRECQLHSD17B10THRB
Sulfuric Acid SCHEMBL4555593 0.81 ALDH1A1 (0.52) ALDH1A1TSHRRECQLHSD17B10THRB
SCHEMBL114264 0.80 ALDH1A1 (0.50) ALDH1A1TSHRRECQLHSD17B10THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0876135-B1 DYEING AGENT FOR DYEING KERATIN FIBRES WELLA AG (DE) 2003-04-09 EP disclosed
EP-0895471-B1 DYEING AGENT FOR DYEING KERATIN FIBRES WELLA AG (DE) 2003-04-02 EP disclosed
US-6102974-A MIXTURE OF OXIDATION DAYE AND 2-AMINO-6-CHLORO-4-NITROPHENOL WELLA AKTIENGESELLSCHAFT (DE) 2000-08-15 US disclosed
EP-0895471-A1 DYEING AGENT FOR DYEING KERATIN FIBRES Wella Aktiengesellschaft (DE) 1999-02-10 EP disclosed
WO-1998019659-A1 DYEING AGENT FOR DYEING KERATIN FIBRES WELLA AKTIENGESELLSCHAFT (DE) 1998-05-14 WO disclosed
US-4886516-A Diaminotetrafluoroethoxybenzenes, process for producing same and hair coloring agents containing same WELLA AKTIENGESELLSCHAFT (DE) 1989-12-12 US disclosed
US-4845294-A COUPLERS IN OXIDATIVE HAIR COLORING AGENTS WELLA AKTIENGESELLSCHAFT (DE) 1989-07-04 US disclosed