Sulfuric Acid

Sulfuric Acid

SCHEMBL8639611

Cc1cc(N)c(C)cc1N.O=S(=O)(O)O

nearest known ligand 0.60

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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
CYP3A4 P08684 5/20 0.60
TSHR P16473 3/20 0.60
MAPK1 P28482 1/20 0.60
ALDH1A1 P00352 8/20 0.48
TDP1 Q9NUW8 4/20 0.43
MAPT P10636 3/20 0.43
HSD17B10 Q99714 3/20 0.42
KDM4E B2RXH2 2/20 0.42
GAA P10253 2/20 0.42
ALOX15 P16050 2/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CASP7 P55210 1/20 0.42
HIF1A Q16665 1/20 0.42
CASP1 P29466 2/20 0.41
PKM P14618 2/20 0.41
MEN1 O00255 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
ATAD2 Q6PL18 1/20 0.41

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 SCHEMBL28705973 0.95 CYP3A4 (0.55) CYP3A4TSHRMAPK1ALDH1A1TDP1
Sulfuric Acid SCHEMBL8642331 0.87 CD44 (0.52) CYP3A4TSHRMAPK1ALDH1A1TDP1
SCHEMBL7032447 0.84 CYP3A4 (0.48) CYP3A4TSHRMAPK1ALDH1A1TDP1
SCHEMBL7757151 0.84 BRD4 (0.49) CYP3A4TSHRMAPK1ALDH1A1TDP1
Sulfuric Acid SCHEMBL29509683 0.82 CYP3A4 (0.41) CYP3A4TSHRMAPK1ALDH1A1TDP1
Sulfuric Acid SCHEMBL2917314 0.82 CYP3A4 (0.41) CYP3A4TSHRMAPK1ALDH1A1TDP1
SCHEMBL7908182 0.80 CYP3A4 (0.44) CYP3A4TSHRMAPK1ALDH1A1TDP1
Sulfuric Acid SCHEMBL687086 0.80 CYP3A4 (0.39) CYP3A4TSHRMAPK1ALDH1A1TDP1
Sulfuric Acid SCHEMBL8642227 0.80 BRD4 (0.40) CYP3A4TSHRMAPK1ALDH1A1TDP1
SCHEMBL8069286 0.80 CYP3A4 (0.44) CYP3A4TSHRMAPK1ALDH1A1TDP1

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