Sulfuric Acid

Sulfuric Acid

SCHEMBL28139705

O=C1CC(Br)C(=O)N1.O=S(=O)(O)O

nearest known ligand 0.41

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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 9)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 1/20 0.41
CRBN Q96SW2 1/20 0.34
CYP19A1 P11511 1/20 0.32
MEN1 O00255 1/20 0.32
APEX1 P27695 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CREBBP Q92793 1/20 0.30

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
Ammonia Solution, Strong SCHEMBL23360905 0.86
SCHEMBL1398156 0.77 GSK3A (0.46) MAP3K14CRBNCYP19A1
Sulfuric Acid SCHEMBL4970729 0.76 MAP3K14 (0.43) MAP3K14CRBNCYP19A1MEN1APEX1
SCHEMBL5086277 0.70 MAP3K14 (0.41) MAP3K14CRBNCYP19A1MEN1APEX1
SCHEMBL4226226 0.70 MAP3K14 (0.41) MAP3K14CRBNCYP19A1MEN1APEX1
SCHEMBL1028532 0.68 MAP3K14 (0.40) MAP3K14CRBNCYP19A1MEN1APEX1
SCHEMBL193688 0.67 MAP3K14 (0.39) MAP3K14CRBNCYP19A1MEN1APEX1
SCHEMBL114368 0.65 MAP3K14 (0.38) MAP3K14CRBNCYP19A1MEN1KMT2A
SCHEMBL3578552 0.65
SCHEMBL18065790 0.64 MAP3K14 (0.40) MAP3K14CRBNCYP19A1MEN1APEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106588869-B Dialkyl group replaces naphtho- sulphur dibenzofuran monomer and preparation method thereof and replaces polymer and its application of naphtho- sulphur dibenzofuran unit containing dialkyl group 华南理工大学 2019-07-16 CN disclosed
CN-106588869-A Dialkyl-substituted naphtho-dioxodibenzothiophene monomer and preparation method thereof and polymer containing dialkyl-substituted naphtho-dioxodibenzothiophene unit and application of polymer 华南理工大学 2017-04-26 CN disclosed