SCHEMBL11399290

SCHEMBL11399290

Nc1cc(S(=O)(=O)O)c2cc(O)ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPL P40238 3/20 0.47
NT5E P21589 2/20 0.46
HSD17B10 Q99714 3/20 0.45
ALDH1A1 P00352 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
CASP6 P55212 4/20 0.42
NSD2 O96028 3/20 0.42
DUSP3 P51452 1/20 0.42
PTPN5 P54829 1/20 0.42
PTPN11 Q06124 1/20 0.42
PTGES O14684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
HIF1A Q16665 1/20 0.39
RAPGEF4 Q8WZA2 1/20 0.39
MMP14 P50281 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
SCHEMBL6559611 0.85 NT5E (0.57) NT5EHSD17B10ALDH1A1TDP1CASP1
SCHEMBL4650562 0.83 MPL (0.50) MPLNT5EHSD17B10TDP1CASP6
SCHEMBL7583241 0.82 ALDH1A1 (0.62) NT5EHSD17B10ALDH1A1TDP1CASP1
SCHEMBL118229 0.80 PTGES (0.52) MPLNT5EHSD17B10ALDH1A1CASP7
SCHEMBL29364155 0.80 PTGES (0.52) MPLNT5EHSD17B10ALDH1A1CASP7
SCHEMBL18274862 0.80 PTGES (0.52) MPLNT5EHSD17B10ALDH1A1CASP7
SCHEMBL31255685 0.80 PTGES (0.52) MPLNT5EHSD17B10ALDH1A1CASP7
SCHEMBL11596773 0.79 CASP6 (0.46) NT5EHSD17B10ALDH1A1TDP1CASP1
SCHEMBL1805384 0.79 PTGES (0.49) MPLNT5EHSD17B10ALDH1A1CASP6
SCHEMBL9179236 0.79 PTGES (0.51) MPLNT5EHSD17B10ALDH1A1CASP7

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4216166-A Nitro precursors to amine precursors to ureide inhibitors of connective tissue destruction AMERICAN CYANAMID COMPANY (US) 1980-08-05 US disclosed
US-4199318-A Washfast disazo dyestuffs TOMS RIVER CHEMICAL CORPORATION (US) 1980-04-22 US disclosed
US-4143035-A DISAZO DYESTUFFS HAVING AN ALKOXY GROUP ON THE FIRST AND/OR SECOND COMPONENT TOMS RIVER CHEMICAL CORPORATION (US) 1979-03-06 US disclosed