Sulfuric Acid

Sulfuric Acid

SCHEMBL4543990

C[N+](C)(C)CCC[N+](C)(C)C.O=S(=O)([O-])[O-]

nearest known ligand 0.67

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Known targets — ChEMBL curated mechanism

dacAdacBdacCftsImrcAmrcBmrdA

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 17)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 4/20 0.67
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
ACHE P22303 4/20 0.50
APEX1 P27695 3/20 0.50
NFKB1 P19838 2/20 0.50
KDM4E B2RXH2 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
PMP22 Q01453 2/20 0.50
LMNA P02545 2/20 0.50
HSD17B10 Q99714 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
TSHR P16473 1/20 0.50
RAB9A P51151 1/20 0.50
NPSR1 Q6W5P4 1/20 0.47
DNM1 Q05193 4/20 0.41
SLC6A4 P31645 1/20 0.40

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
Sulfuric Acid SCHEMBL28069449 0.87 BBOX1 (0.57) BBOX1MEN1KMT2AACHEAPEX1
Sulfuric Acid SCHEMBL27989771 0.86 BBOX1 (0.58) BBOX1MEN1KMT2AACHEAPEX1
SCHEMBL14743745 0.84 BBOX1 (0.56) BBOX1MEN1KMT2AACHEAPEX1
Sulfuric Acid SCHEMBL19811967 0.84 BBOX1 (0.56) BBOX1MEN1KMT2AACHEAPEX1
Sulfuric Acid SCHEMBL28987944 0.84 BBOX1 (0.56) BBOX1MEN1KMT2AACHEAPEX1
Sulfuric Acid SCHEMBL9698121 0.82 DNM1 (0.71) BBOX1MEN1KMT2AACHEAPEX1
Sulfuric Acid SCHEMBL2978706 0.82 DNM1 (0.71) BBOX1MEN1KMT2AACHEAPEX1
Sulfuric Acid SCHEMBL19811505 0.82 DNM1 (0.64) BBOX1MEN1KMT2AACHEAPEX1
Sulfuric Acid SCHEMBL721282 0.82 DNM1 (0.71) BBOX1MEN1KMT2AACHEAPEX1
Cetrimonium SCHEMBL2531490 0.82 DNM1 (0.71) BBOX1MEN1KMT2AACHEAPEX1

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-1404762-B1 A METHOD OF COLORING HAIR USING CATIONIC DYES BASF SE (DE) 2009-11-25 EP disclosed
US-7078498-B2 Method of coloring hair using cationic dyes CIBE SPECIALTY CHEMICALS CORPORATION (US) 2006-07-18 US disclosed
US-6949630-B2 Cationic reactive dyes CIBA SPECIALTY CHEMICALS CORPORATION (US) 2005-09-27 US disclosed