Sulfuric Acid

Sulfuric Acid

SCHEMBL8624153

CNS(=O)(=O)Cc1ccc2[nH]c(C(C)N(C)C)cc2c1.O=S(=O)(O)O

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

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
▸ NTRK2 known ✓ Q16620 1/20 0.31
▸ HTR1D P28221 4/20 0.42
▸ HTR1B P28222 4/20 0.42
▸ HTR1A P08908 1/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ HTR2C P28335 1/20 0.42
▸ HTR1E P28566 1/20 0.42
▸ HTR1F P30939 1/20 0.42
▸ HTR7 P34969 1/20 0.42
▸ HTR2B P41595 1/20 0.42
▸ HTR3A P46098 1/20 0.42
▸ HTR5A P47898 1/20 0.42
▸ SLC47A1 Q96FL8 1/20 0.42
▸ MAPT P10636 5/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ ALOX5 P09917 1/20 0.35
▸ ALKBH5 Q6P6C2 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ LMNA P02545 2/20 0.32

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
SCHEMBL8158813 0.96 HTR1D (0.45) HTR1DHTR1BHTR1AHTR2AHTR2C
Succinic Acid SCHEMBL8383592 0.91 ALDH1A1 (0.42) HTR1DHTR1BHTR1AHTR2AHTR2C
Sulfuric Acid SCHEMBL8624157 0.77 HTR1D (0.56) HTR1DHTR1BHTR1AHTR2AHTR2C
Naratriptan SCHEMBL8716115 0.74 HTR1D (0.69) HTR1DHTR1BHTR1AHTR2AHTR2C
SCHEMBL8990519 0.74 HTR1D (0.43) HTR1DHTR1BHTR1AHTR2AHTR2C
SCHEMBL8158816 0.72 HTR1D (0.59) HTR1DHTR1BHTR1AHTR2AHTR2C
Sulfuric Acid SCHEMBL9705330 0.72 CYP19A1 (0.51) HTR1DHTR1BHTR1AHTR2AHTR2C
SCHEMBL6843293 0.71 HTR1D (0.61) HTR1DHTR1BHTR1AHTR2AHTR2C
Benzoic Acid SCHEMBL4541736 0.70 HTR1D (0.41) HTR1DHTR1BHTR1AHTR2AHTR2C
Succinic Acid SCHEMBL8383594 0.69 HTR1A (0.52) HTR1DHTR1BHTR1AHTR2AHTR2C

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-5705520-A FOR TREATMENT OF MIGRAINES GLAXO GROUP LIMITED (GB) 1998-01-06 — — US disclosed
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