Sulfuric Acid

Sulfuric Acid

SCHEMBL11515545

Cc1ccc(N)cc1C.O=S(=O)(O)O

nearest known ligand 0.73

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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 10/20 0.73
L3MBTL1 Q9Y468 2/20 0.55
TSHR P16473 6/20 0.52
CASP1 P29466 5/20 0.52
PDE10A Q9Y233 1/20 0.52
CYP3A4 P08684 4/20 0.50
RECQL P46063 3/20 0.50
HSD17B10 Q99714 2/20 0.50
THRB P10828 2/20 0.50
ALOX15 P16050 2/20 0.50
HPGD P15428 1/20 0.50
NPC1 O15118 4/20 0.47
LMNA P02545 4/20 0.47
POLB P06746 3/20 0.47
MITF O75030 1/20 0.47
TDP1 Q9NUW8 3/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
RAB9A P51151 3/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL29977912 0.85
SCHEMBL33278 0.85
Sulfuric Acid SCHEMBL5696075 0.84 ALDH1A1 (0.59) ALDH1A1L3MBTL1TSHRCASP1PDE10A
Sulfuric Acid SCHEMBL8643528 0.84 L3MBTL1 (0.53) ALDH1A1L3MBTL1TSHRCASP1PDE10A
Sulfuric Acid SCHEMBL10710420 0.84 ALDH1A1 (0.59) ALDH1A1L3MBTL1TSHRCASP1PDE10A
Sulfuric Acid SCHEMBL94577 0.84 ALDH1A1 (0.59) ALDH1A1L3MBTL1TSHRCASP1PDE10A
Sulfuric Acid SCHEMBL9317897 0.84 ALDH1A1 (0.59) ALDH1A1L3MBTL1TSHRCASP1PDE10A
Sulfuric Acid SCHEMBL29151724 0.84 ALDH1A1 (0.59) ALDH1A1L3MBTL1TSHRCASP1PDE10A
Sulfuric Acid SCHEMBL909657 0.84 CASP1 (0.74) ALDH1A1L3MBTL1TSHRCASP1PDE10A
Sulfuric Acid SCHEMBL28205482 0.84 ALDH1A1 (0.59) ALDH1A1L3MBTL1TSHRCASP1PDE10A

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-4168279-A Manufacture of amines of the formula Ar--NH--CH2 --R BASF AKTIENGESELLSCHAFT (DE) 1979-09-18 US claimed
US-4168279-A Manufacture of amines of the formula Ar--NH--CH2 --R BASF AKTIENGESELLSCHAFT (DE) 1979-09-18 US disclosed