Sulfuric Acid

Sulfuric Acid

SCHEMBL8621940

CNS(=O)(=O)CCCN(C)C.O=S(=O)(O)O

nearest known ligand 0.47

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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
PAOX Q6QHF9 1/20 0.35
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
THRA P10827 1/20 0.34
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
LYPLA1 O75608 3/20 0.31
LYPLA2 O95372 3/20 0.31
PRMT3 O60678 1/20 0.31
CARM1 Q86X55 1/20 0.31
PRMT6 Q96LA8 1/20 0.31
PRMT1 Q99873 1/20 0.31
PRMT8 Q9NR22 1/20 0.31
ALOX15 P16050 1/20 0.31
KDM4A O75164 5/20 0.31
KDM4C Q9H3R0 5/20 0.31
KDM5A P29375 1/20 0.31
KDM7A Q6ZMT4 1/20 0.31
PHF8 Q9UPP1 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
SCHEMBL14838243 0.87 ALDH1A1 (0.43) ALDH1A1TSHRTHRACA12CA2
SCHEMBL1487363 0.80 ALDH1A1 (0.39) ALDH1A1TSHRCA12CA2CA9
Dimethylamine SCHEMBL918206 0.78 APP (0.41) PAOXALDH1A1TSHRCA12CA2
Hydrochloric Acid SCHEMBL28109461 0.78 ALDH1A1 (0.38) ALDH1A1PRMT3CARM1PRMT6PRMT1
SCHEMBL128907 0.75 APP (0.46) PAOXALDH1A1TSHRCA12CA2
Sulfuric Acid SCHEMBL7067929 0.74 PRMT3 (0.50) PAOXALDH1A1TSHRCA12CA2
SCHEMBL14277005 0.73 MEN1 (0.32) ALDH1A1
Water SCHEMBL21226523 0.73 APP (0.44) PAOXALDH1A1TSHRCA12CA2
SCHEMBL5017073 0.73 APP (0.44) PAOXALDH1A1TSHRCA12CA2
Hydrochloric Acid SCHEMBL3148714 0.73 APP (0.44) PAOXALDH1A1TSHRALOX15KDM4A

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-5705520-A FOR TREATMENT OF MIGRAINES GLAXO GROUP LIMITED (GB) 1998-01-06 US disclosed