SCHEMBL6401055

SCHEMBL6401055

CS(=O)(=O)Oc1c(S(=O)(=O)O)ccc2c(N(S(C)(=O)=O)S(C)(=O)=O)cccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 1/20 0.36
▸ CA2 P00918 1/20 0.33
▸ F2 P00734 3/20 0.32
▸ PRSS1 P07477 3/20 0.32
▸ PRSS2 P07478 3/20 0.32
▸ PRSS3 P35030 3/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ AURKA O14965 1/20 0.32
▸ AURKB Q96GD4 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ HTT P42858 2/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ HIF1A Q16665 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ EDNRA P25101 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ PER2 O15055 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPT P10636 1/20 0.30

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
SCHEMBL6405654 1.00 TTR (0.36) TTRCA2F2PRSS1PRSS2
SCHEMBL6400356 0.86 CA2 (0.33) CA2CYP1A2HTTCYP2C19HIF1A
SCHEMBL6405651 0.85 CA2 (0.33) CA2F2PRSS1PRSS2PRSS3
SCHEMBL11688527 0.82 CYP1A2 (0.33) CA2CYP1A2HTTCYP2C19HIF1A
SCHEMBL11690387 0.79 GAA (0.30) GAA
SCHEMBL11690379 0.78 — —
SCHEMBL11688529 0.76 SLC2A1 (0.32) —
SCHEMBL11689308 0.73 — —
SCHEMBL7175125 0.67 CA2 (0.47) CA2F2PRSS1PRSS2PRSS3
SCHEMBL5720805 0.67 CA2 (0.70) TTRCA2F2PRSS1PRSS2

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-20050130251-A1 Reagent for determination of hydrogen peroxide KYOWA MEDEX CO., LTD. (JP) 2005-06-16 — — US disclosed
EP-1424554-A1 REAGENT FOR DETERMINING HYDROGEN PEROXIDE KYOWA MEDEX CO., LTD. (JP) 2004-06-02 — — EP disclosed
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