Sulfuric Acid

Sulfuric Acid

SCHEMBL6472879

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

nearest known ligand 0.48

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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 16)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 5/20 0.48
DNM1 Q05193 2/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
TP53 P04637 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HTT P42858 2/20 0.41
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
ATM Q13315 1/20 0.39
ZDHHC20 Q5W0Z9 1/20 0.38
ZDHHC2 Q9UIJ5 1/20 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
SCHEMBL13903978 0.94 TGM2 (0.53) TGM2DNM1KMT2AMEN1TP53
Sulfuric Acid SCHEMBL6473405 0.93 TGM2 (0.44) TGM2DNM1KMT2AMEN1TP53
Bromide SCHEMBL28624083 0.92 TGM2 (0.52) TGM2DNM1KMT2AMEN1TP53
Water SCHEMBL9650629 0.92 TGM2 (0.52) TGM2DNM1KMT2AMEN1TP53
Hydrochloric Acid SCHEMBL4995421 0.92 TGM2 (0.52) TGM2DNM1KMT2AMEN1TP53
Trifluoromethanesulfonic Acid SCHEMBL16108731 0.92 TGM2 (0.44) TGM2DNM1KMT2AMEN1TP53
Acrylic Acid SCHEMBL28669293 0.90 TGM2 (0.48) TGM2DNM1KMT2AMEN1TP53
Trifluoromethanesulfonic Acid SCHEMBL16108733 0.89 TGM2 (0.47) TGM2DNM1KMT2AMEN1TP53
SCHEMBL16319751 0.87 ZDHHC20 (0.46) TGM2DNM1KMT2AMEN1TP53
SCHEMBL17083922 0.86 TGM2 (0.49) TGM2DNM1KMT2AMEN1TP53

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