Sulfuric Acid

Sulfuric Acid

SCHEMBL9856834

CCOc1ccccc1C(CCNC)Cc1ccccc1.O=S(=O)(O)O

nearest known ligand 0.42

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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
SLC6A2 known ✓ P23975 1/20 0.40
ADRA1D known ✓ P25100 2/20 0.39
ADRA1A known ✓ P35348 2/20 0.39
ADRA1B known ✓ P35368 2/20 0.39
ALOX15 P16050 1/20 0.42
KMT2A Q03164 1/20 0.40
SLC6A4 P31645 1/20 0.40
TSHR P16473 2/20 0.39
HTR1A P08908 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HCRTR1 O43613 2/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
MAPT P10636 1/20 0.38
POLB P06746 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL9856696 0.72 HTR2A (0.43) KMT2ASLC6A2SLC6A4HTR1AADRA1A
SCHEMBL9856174 0.70 L3MBTL1 (0.51) ALOX15KMT2ASLC6A2SLC6A4TSHR
Phosphoric Acid SCHEMBL9856725 0.70 MEN1 (0.36) KMT2ATSHRMAPTLMNA
SCHEMBL8384207 0.69 HTR2A (0.60) ALOX15KMT2ASLC6A2SLC6A4TSHR
SCHEMBL9857018 0.68 SLC6A4 (0.46) KMT2ASLC6A2SLC6A4L3MBTL1
Sulfuric Acid SCHEMBL1829177 0.66 TAAR1 (0.76) KMT2AL3MBTL1CYP3A4MAPTPOLB
SCHEMBL26152586 0.66 CYP2D6 (0.48) L3MBTL1POLBCYP2D6CYP2C19
SCHEMBL12646340 0.65 ALDH1A1 (0.52) ALOX15KMT2AL3MBTL1HCRTR1CYP1A2
SCHEMBL9856698 0.65 TAAR1 (0.42) SLC6A2SLC6A4POLBLMNA
SCHEMBL11076462 0.65 ALOX15 (0.53) ALOX15KMT2ASLC6A2SLC6A4L3MBTL1

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-4996235-A Selectively inhibiting the uptake of serotonin and norepinephrine ELI LILLY AND COMPANY (US) 1991-02-26 US disclosed