Sulfuric Acid

Sulfuric Acid

SCHEMBL23320623

CC(F)F.O=S(=O)(O)O.[NaH]

nearest known ligand 0.46

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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 17)

geneUniProtsupporting neighboursconfidence
CA5A P35218 2/20 0.46
CA5B Q9Y2D0 2/20 0.46
TSHR P16473 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
TP53 P04637 1/20 0.35
KDM4E B2RXH2 2/20 0.32
BLM P54132 2/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
NT5E P21589 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 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
Sulfuric Acid SCHEMBL28159878 0.80 ALDH1A1 (0.50) CA5ACA5BTSHRTDP1TP53
Sulfuric Acid SCHEMBL152452 0.79
Sulfuric Acid SCHEMBL8529594 0.79
Sulfuric Acid SCHEMBL27558365 0.77 CA5A (0.46) CA5ACA5BTSHRTDP1TP53
SCHEMBL2580674 0.77
Trifluoromethanesulfonic Acid SCHEMBL23152606 0.76 ALDH1A1 (0.39) TSHRTDP1CA1CA2CA7
Sulfuric Acid SCHEMBL1752744 0.75
Sulfuric Acid SCHEMBL700471 0.75
Sulfuric Acid SCHEMBL9568493 0.75 CA5A (0.55) CA5ACA5BTSHRTDP1KDM4E
Sulfuric Acid SCHEMBL20641565 0.75 CA5A (0.55) CA5ACA5BTSHRTDP1KDM4E

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
EP-3818063-A1 FUSED PYRAZINE DERIVATIVES AS A2A / A2B INHIBITORS Incyte Corporation (US) 2021-05-12 EP disclosed