SCHEMBL3468052

SCHEMBL3468052

COc1cncc(S(=O)(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.43
MKNK2 Q9HBH9 2/20 0.42
ROCK2 O75116 1/20 0.42
MAP4K4 O95819 1/20 0.42
PRKACA P17612 1/20 0.42
ROCK1 Q13464 1/20 0.42
DYRK1A Q13627 1/20 0.42
NTRK3 Q16288 1/20 0.42
PKN2 Q16513 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
STK17A Q9UEE5 1/20 0.42
MKNK1 Q9BUB5 1/20 0.41
NAPRT Q6XQN6 1/20 0.41
NFE2L2 Q16236 3/20 0.40
APLNR P35414 1/20 0.40
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
Hydrochloric Acid SCHEMBL27809965 0.98 NAMPT (0.42) NAMPTMKNK2ROCK2MAP4K4PRKACA
SCHEMBL18247262 0.82 APLNR (0.55) MKNK2ROCK2MAP4K4PRKACAROCK1
SCHEMBL2201631 0.82 PTGS2 (0.44) NAMPTMKNK2ROCK2MAP4K4PRKACA
SCHEMBL3215669 0.81 NFE2L2 (0.40) NAMPTMKNK2ROCK2MAP4K4PRKACA
SCHEMBL5082291 0.79 NAPRT (0.54) NAPRTAPLNRCYP2C9
SCHEMBL29097768 0.79 TRPA1 (0.39) MKNK2ROCK2MAP4K4PRKACAROCK1
SCHEMBL30198665 0.79 TRPA1 (0.39) MKNK2ROCK2MAP4K4PRKACAROCK1
SCHEMBL669049 0.77 ALDH1A1 (0.52) CYP1A1CYP1B1GAA
Hydrochloric Acid SCHEMBL11156696 0.75 ALDH1A1 (0.50) CYP1A1CYP1B1GAA
SCHEMBL28943258 0.75 ALDH1A1 (0.50) CYP1A1CYP1B1GAA

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
WO-2010085968-A1 TOLUIDINE SULFONAMIDES AND THEIR USE AS HIF-INHIBITORS EUROPEAN MOLECULAR BIOLOGY LABORATORY (EMBL) (DE) 2010-08-05 WO disclosed
WO-2010076034-A1 TOLUIDINE SULFONAMIDES AND THEIR USE AS-INHIBITORS EUROPEAN MOLECULAR BIOLOGY LABORATORY (EMBL) (DE) 2010-07-08 WO disclosed