Sulfuric Acid

Sulfuric Acid

SCHEMBL28940940

Cc1cc(NCCS(C)(=O)=O)ccc1N.O=S(=O)(O)O

nearest known ligand 0.44

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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
ALDH1A1 P00352 8/20 0.44
CYP3A4 P08684 4/20 0.44
TDP1 Q9NUW8 3/20 0.44
THRB P10828 2/20 0.44
ALOX15 P16050 2/20 0.44
RECQL P46063 2/20 0.44
HIF1A Q16665 1/20 0.44
HTT P42858 1/20 0.36
KMT2A Q03164 3/20 0.36
S100B P04271 1/20 0.36
TSHR P16473 2/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA12 O43570 1/20 0.34
CA7 P43166 1/20 0.34
SOS1 Q07889 1/20 0.34
MAPT P10636 3/20 0.33
MEN1 O00255 2/20 0.33
TDO2 P48775 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
SCHEMBL14253805 0.95 ALDH1A1 (0.44) ALDH1A1CYP3A4TDP1THRBALOX15
SCHEMBL4818365 0.89 ALDH1A1 (0.45) ALDH1A1CYP3A4TDP1THRBALOX15
Sulfuric Acid SCHEMBL6658121 0.86 ALDH1A1 (0.51) ALDH1A1CYP3A4TDP1THRBALOX15
Sulfuric Acid SCHEMBL3453574 0.85 ALDH1A1 (0.42) ALDH1A1CYP3A4TDP1THRBALOX15
Sulfuric Acid SCHEMBL8751386 0.85 ALDH1A1 (0.50) ALDH1A1CYP3A4TDP1THRBALOX15
Sulfuric Acid SCHEMBL11017910 0.85 ALDH1A1 (0.44) ALDH1A1CYP3A4TDP1THRBALOX15
SCHEMBL4817857 0.84 ALDH1A1 (0.42) ALDH1A1CYP3A4TDP1THRBALOX15
Sulfuric Acid SCHEMBL11318250 0.84 ALDH1A1 (0.41) ALDH1A1CYP3A4TDP1THRBALOX15
Sulfuric Acid SCHEMBL7031463 0.84 ALDH1A1 (0.41) ALDH1A1CYP3A4TDP1THRBALOX15
Sulfuric Acid SCHEMBL8047546 0.84 ALDH1A1 (0.65) ALDH1A1CYP3A4TDP1THRBALOX15

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
CN-1271869-A Characteristics exchanged uncommon colour photographic paper EASTMAN KODAK CO (US) 2000-11-01 CN disclosed