Sulfuric Acid

Sulfuric Acid

SCHEMBL9621165

Nc1nc(N)c(N)c(N)n1.O.O=S(=O)(O)O

nearest known ligand 0.34

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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 5)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.33
DHFR P00374 1/20 0.33
CA5A P35218 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
CYP1A2 P05177 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 SCHEMBL121743 0.97 PDPK1 (0.34) PDPK1DHFRCA5ACA5BCYP1A2
Sulfuric Acid SCHEMBL4612293 0.97 PDPK1 (0.34) PDPK1DHFRCA5ACA5BCYP1A2
Sulfuric Acid SCHEMBL20815930 0.97 PDPK1 (0.34) PDPK1DHFRCA5ACA5BCYP1A2
Sulfuric Acid SCHEMBL10391851 0.86 CYP1A2 (0.30) DHFRCYP1A2
SCHEMBL20815929 0.83 CCNA2 (0.31) PDPK1
Sulfuric Acid SCHEMBL94088 0.83 CYP1A2 (0.31) PDPK1DHFRCYP1A2
Sulfuric Acid SCHEMBL28283741 0.83 CYP1A2 (0.31) PDPK1DHFRCYP1A2
Sulfuric Acid SCHEMBL4826011 0.83 CYP1A2 (0.31) PDPK1DHFRCYP1A2
Sulfuric Acid SCHEMBL11529048 0.83 CA5A (0.40) CA5ACA5BCYP1A2
Sulfuric Acid SCHEMBL11564899 0.83 CA5A (0.40) CA5ACA5BCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0154173-B1 PTERIDINE DERIVATIVES, AN ANTICANCER COMPOSITION CONTAINING SAME AND A PROCESS FOR THE PRODUCTION OF SAID DERIVATIVES RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1992-01-08 EP disclosed
EP-0424261-A1 Dyeing composition containing oxidation dyes precursors and aminoindole derivatives as coupling agent L'OREAL (FR) 1991-04-24 EP disclosed
US-4820706-A Pteridine derivatives and method of treating leukemia employing same RESEARCH CORPORATION (US) 1989-04-11 US disclosed
EP-0154173-A2 Pteridine derivatives, an anticancer composition containing same and a process for the production of said derivatives RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1985-09-11 EP disclosed