Sulfuric Acid

Sulfuric Acid

SCHEMBL8639723

Nc1ccc(-c2ccc(N)c(C(F)(F)F)c2)cc1C(F)(F)F.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
FFAR4 Q5NUL3 11/20 0.48
KIF11 P52732 6/20 0.47
FFAR1 O14842 3/20 0.44
PGR P06401 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL29403371 0.88 KIF11 (0.50) FFAR4KIF11FFAR1PGRMEN1
SCHEMBL349356 0.88 KIF11 (0.50) FFAR4KIF11FFAR1PGRMEN1
Hydrochloric Acid SCHEMBL8644024 0.86 KIF11 (0.48) FFAR4KIF11FFAR1PGRMEN1
Sulfuric Acid SCHEMBL8643162 0.85 GAA (0.53) FFAR4FFAR1CA12CA1CA2
Sulfuric Acid SCHEMBL8641977 0.81 CA12 (0.53) FFAR4KIF11FFAR1CA12CA1
SCHEMBL5014833 0.81 FFAR4 (0.40) FFAR4KIF11FFAR1PGRCA12
SCHEMBL30449781 0.80 KIF11 (0.41) FFAR4KIF11FFAR1MEN1GAA
SCHEMBL1011734 0.80 KIF11 (0.63) FFAR4KIF11PGRMEN1GAA
SCHEMBL8922815 0.80 KIF11 (0.54) FFAR4KIF11FFAR1PGRMEN1
SCHEMBL11243895 0.79 FFAR4 (0.54) FFAR4FFAR1CA12CA1CA2

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-5821320-A MIXING AROMATIC DIAMINE DIHYDROCHLORIDE OR SULFATE WITH AROMATIC ACID DIANHYDRIDE, HEATING TO DEHYDRATE AND CONDENSE PETROLEUM ENERGY CENTER (JP) 1998-10-13 US disclosed