Sulfuric Acid

Sulfuric Acid

SCHEMBL7968960

O=S(=O)(O)O.O[C@@H](COc1ccc2c(c1)[nH]c1ccccc12)CN1CCC(O)(c2cnc3ccccc3n2)CC1

nearest known ligand 0.40

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 14)

geneUniProtsupporting neighboursconfidence
ADRB2 known ✓ P07550 4/20 0.37
ADRB1 known ✓ P08588 4/20 0.37
ADRB3 known ✓ P13945 4/20 0.37
ADORA2A P29274 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.37
ABCB1 P08183 3/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
POLB P06746 1/20 0.37
KCNH2 Q12809 2/20 0.37

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 SCHEMBL7968961 0.85 DRD3 (0.37)
SCHEMBL7967317 0.84 PRMT5 (0.45) SMN1; SMN2KDM4EABCB1PRMT5WDR77
Sulfuric Acid SCHEMBL7968955 0.84 THRB (0.36)
SCHEMBL7962698 0.78 L3MBTL1 (0.46) SMN1; SMN2KDM4EGAAPKMPRMT5
SCHEMBL7962746 0.78 SMN1; SMN2 (0.47) ADORA2ASMN1; SMN2KDM4EPRMT5WDR77
SCHEMBL7962210 0.78 TP53 (0.56) SMN1; SMN2KDM4EGAAPRMT5WDR77
SCHEMBL7965117 0.72 CYP1A2 (0.58) SMN1; SMN2ABCB1LMNAGAA
SCHEMBL7200720 0.70 SMN1; SMN2 (0.57) SMN1; SMN2KDM4EABCB1PRMT5WDR77
SCHEMBL27193282 0.70 SMN1; SMN2 (0.57) SMN1; SMN2KDM4EABCB1PRMT5WDR77
SCHEMBL7967319 0.70 DRD3 (0.37) ABCB1LMNA

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-6242450-B1 SUBSTITUTED PIPERIDINES ELI LILLY AND COMPANY 2001-06-05 US disclosed
EP-0976746-A1 5-HT1F antagonists ELI LILLY AND COMPANY (US) 2000-02-02 EP disclosed