Sulfuric Acid

Sulfuric Acid

SCHEMBL8849965

N#[N+]c1cc(F)c(F)cc1Cl.O=S(=O)([O-])O

nearest known ligand 0.31

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

CYP51cyp51Acyp51c

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 5)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.31
PTGS2 P35354 2/20 0.30
PTGS1 P23219 1/20 0.30
POLB P06746 1/20 0.30
APEX1 P27695 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
Sulfuric Acid SCHEMBL8850265 0.93 PTGS2 (0.32) CYP2C19PTGS2PTGS1
Sulfuric Acid SCHEMBL8849819 0.91 GPR27 (0.32)
Sulfuric Acid SCHEMBL8942306 0.91 PTGS2 (0.31) PTGS2PTGS1
Sulfuric Acid SCHEMBL8850659 0.84 SOS1 (0.32) PTGS2PTGS1
Sulfuric Acid SCHEMBL8942331 0.83 MEN1 (0.31)
Sulfuric Acid SCHEMBL11247460 0.83 TSHR (0.31)
Hydrochloric Acid SCHEMBL8850304 0.82
Acetic Acid SCHEMBL8849775 0.82 POLB (0.37) CYP2C19POLBAPEX1
Sulfuric Acid SCHEMBL8942106 0.82 SOS1 (0.31) PTGS2PTGS1
Hydrochloric Acid SCHEMBL8942441 0.81

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-0606058-B1 Halogenated cinnamic acids and their esters as well as processes for their preparation and halogenated aryldiazonium salts HOECHST AG (DE) 1997-11-05 EP disclosed
US-5516932-A Halogenated cinnamic acids and esters thereof, processes for the preparation thereof and halogenated aryldiazonium salts HOECHST AKTIENGESELLSCHAFT (DE) 1996-05-14 US disclosed
EP-0606058-A2 Halogenated cinnamic acids and their esters as well as processes for their preparation and halogenated aryldiazonium salts HOECHST AKTIENGESELLSCHAFT (DE) 1994-07-13 EP disclosed