Sulfuric Acid

Sulfuric Acid

SCHEMBL9347754

CC(N)c1ccccc1N.O=S(=O)(O)O

nearest known ligand 0.48

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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 20)

geneUniProtsupporting neighboursconfidence
ADRA2A known ✓ P08913 1/20 0.38
ADRA2C known ✓ P18825 1/20 0.38
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
GAA P10253 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
NFKB1 P19838 1/20 0.39
PNMT P11086 1/20 0.39
CA12 O43570 1/20 0.39
CYP2C9 P11712 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
KYNU Q16719 2/20 0.39

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
SCHEMBL1061130 0.87 CYP3A4 (0.48) CYP1A2CYP3A4CYP2D6NFKB1PNMT
SCHEMBL6201553 0.87 CYP3A4 (0.48) CYP1A2CYP3A4CYP2D6NFKB1PNMT
SCHEMBL16512108 0.87 CYP3A4 (0.48) CYP1A2CYP3A4CYP2D6NFKB1PNMT
Hydrochloric Acid SCHEMBL28495226 0.84 ALDH1A1 (0.50) CYP1A2CYP3A4CYP2D6NFKB1PNMT
Sulfuric Acid SCHEMBL6695692 0.83 FABP3 (0.41) CA1CA2CA9CYP1A2CYP3A4
Sulfuric Acid SCHEMBL28641533 0.82 CA1 (0.40) CA1CA2CA9GAACA12
SCHEMBL4938880 0.81 FABP3 (0.42) CA1CA2CA9CYP1A2CYP3A4
SCHEMBL11561462 0.80 CA1 (0.41) CA1CA2CA9GAACYP3A4
Sulfuric Acid SCHEMBL8070174 0.78 CA1 (0.44) CA1CA2CA9GAACYP1A2
SCHEMBL2517262 0.78 MYC (0.42) CYP1A2CYP3A4CYP2D6NFKB1PNMT

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
US-5318884-A Carbocyclic or heterocyclic ring which bears a silyl substituent with silicon atom bonded directly to a ring carbon EASTMAN KODAK COMPANY (US) 1994-06-07 US disclosed