Sulfuric Acid

Sulfuric Acid

SCHEMBL8552664

Nc1nc(N)nc(NC=O)n1.O=S(=O)([O-])O.[Na+]

nearest known ligand 0.38

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 8)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA9 Q16790 3/20 0.38
CA12 O43570 1/20 0.38
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33

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 SCHEMBL17923253 0.90 CA1 (0.37) CA1CA2CA9CA12
Hydroxyamine SCHEMBL11315924 0.84 CA1 (0.32) CA1CA2CA9CA12
SCHEMBL19401 0.84 CA1 (0.34) CA1CA2CA9CA12
SCHEMBL10905067 0.84 CA1 (0.34) CA1CA2CA9CA12
Water SCHEMBL9507408 0.82 CA1 (0.33) CA1CA2CA9CA12
Sulfurous Acid SCHEMBL8550593 0.81 CA12 (0.31) CA1CA2CA9CA12
Formaldehyde SCHEMBL3043572 0.80 CA1 (0.32) CA1CA2CA9CA12
SCHEMBL14543886 0.80 CA12 (0.31) CA1CA2CA9CA12
Sulfurous Acid SCHEMBL2732712 0.79 CA12 (0.30) CA1CA2CA9CA12
Phosphoric Acid SCHEMBL9696406 0.79 CA12 (0.30) CA1CA2CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5725656-A CALCIUM SULFATE, ACRYLIC LATEX, MELAMINE-FORMALDEHYDE RESIN AND ALCOHOL FOR PLASTERS THE TRUSTEES OF COLOMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 1998-03-10 US disclosed
WO-1997045378-A1 A GYPSUM COMPOSITION THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 1997-12-04 WO disclosed