Sulfuric Acid

Sulfuric Acid

SCHEMBL6476110

C=C(C)C(=O)OCCC[N+](C)(C)Cc1ccccc1.C=C(C)C(=O)OCCC[N+](C)(C)Cc1ccccc1.O=S(=O)([O-])[O-]

nearest known ligand 0.45

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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 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
TP53 P04637 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 4/20 0.44
DNM1 Q05193 2/20 0.43
TDP1 Q9NUW8 2/20 0.41
POLB P06746 1/20 0.41
APEX1 P27695 1/20 0.41
TSHR P16473 3/20 0.38
APAF1 O14727 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
ERBB2 P04626 1/20 0.35
FYN P06241 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL7917382 0.94 MEN1 (0.50) MEN1KMT2ATP53SMN1; SMN2MAPK1
Hydrochloric Acid SCHEMBL3899764 0.94 MEN1 (0.50) MEN1KMT2ATP53SMN1; SMN2MAPK1
Sulfuric Acid SCHEMBL2790955 0.93 MEN1 (0.40) MEN1KMT2ATP53SMN1; SMN2MAPK1
Iodide SCHEMBL14815831 0.92 MEN1 (0.49) MEN1KMT2ATP53SMN1; SMN2MAPK1
Fluoride Ion SCHEMBL14815193 0.92 MEN1 (0.49) MEN1KMT2ATP53SMN1; SMN2MAPK1
Bromide SCHEMBL14815540 0.92 MEN1 (0.49) MEN1KMT2ATP53SMN1; SMN2MAPK1
Hydrochloric Acid SCHEMBL14815769 0.90 MEN1 (0.52) MEN1KMT2ATP53SMN1; SMN2MAPK1
SCHEMBL10301520 0.89 MEN1 (0.55) MEN1KMT2ATP53SMN1; SMN2MAPK1
Bromide SCHEMBL14815770 0.89 MEN1 (0.51) MEN1KMT2ATP53SMN1; SMN2MAPK1
Fluoride Ion SCHEMBL14815771 0.89 MEN1 (0.51) MEN1KMT2ATP53SMN1; SMN2MAPK1

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
WO-2005075531-A1 AMPHIPHILIC BLOCK AND GRAFT COPOLYMERS CONTAINING HEAVY ELEMENTS, METHOD FOR THE PRODUCTION THEREOF, AND USE OF THE SAME AS X-RAY CONTRAST AGENTS FRAUNHOFER-GESELLSCHAFT ZUR FOERDERUNG DER ANGEWANDTEN FORSCHUNG E.V. (DE) 2005-08-18 WO disclosed