SCHEMBL6818347

SCHEMBL6818347

Nc1cc(S(=O)(=O)O)c2cc(S(=O)(=O)O)c3ccc(S(=O)(=O)O)c4ccc1c2c43

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.50
AURKB Q96GD4 1/20 0.50
TTR P02766 1/20 0.44
ALDH1A1 P00352 5/20 0.41
HSD17B10 Q99714 4/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CASP6 P55212 2/20 0.41
CYP1A2 P05177 2/20 0.39
MEN1 O00255 3/20 0.37
MAPT P10636 3/20 0.37
THRB P10828 3/20 0.37
HPGD P15428 3/20 0.37
RECQL P46063 3/20 0.37
BLM P54132 3/20 0.37
KMT2A Q03164 3/20 0.37
KDM4E B2RXH2 2/20 0.37
TP53 P04637 2/20 0.37
CYP3A4 P08684 2/20 0.37
ALOX15 P16050 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
SCHEMBL572527 0.96 AURKA (0.50) AURKAAURKBTTRALDH1A1HSD17B10
SCHEMBL29393812 0.96 AURKA (0.50) AURKAAURKBTTRALDH1A1HSD17B10
SCHEMBL28560090 0.95 AURKA (0.49) AURKAAURKBTTRALDH1A1HSD17B10
SCHEMBL2730921 0.93 AURKA (0.50) AURKAAURKBTTRALDH1A1HSD17B10
SCHEMBL31229289 0.91 AURKA (0.46) AURKAAURKBTTRALDH1A1HSD17B10
SCHEMBL29384070 0.91 AURKA (0.46) AURKAAURKBTTRALDH1A1HSD17B10
SCHEMBL338441 0.91 AURKA (0.46) AURKAAURKBTTRALDH1A1HSD17B10
SCHEMBL4402089 0.90 AURKA (0.47) AURKAAURKBTTRALDH1A1HSD17B10
SCHEMBL11524521 0.89 AURKA (0.54) AURKAAURKBTTRALDH1A1HSD17B10
SCHEMBL592094 0.89 AURKA (0.45) AURKAAURKBTTRALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0906432-B1 RECOMBINANT ALPHA-2,3-SIALYLTRANSFERASES AND THEIR USES CA NAT RESEARCH COUNCIL (CA) 2004-06-09 EP disclosed
US-6210933-B1 AMINO ACID SEQUENCE; FOR ADDING SIALIC ACIDS TO GLYCOPROTEINS, GLYCOLIPIDS, AND OTHER ACCEPTOR MOLECULES NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2001-04-03 US disclosed
US-6096529-A FROM NEISSERIA SPECIES; FOR SYNTHESIS OF DESIRED OLIGOSACCHARIDES WITH BIOLOGICAL ACTIVITY NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2000-08-01 US disclosed
EP-0906432-A1 RECOMBINANT ALPHA-2,3-SIALYLTRANSFERASES AND THEIR USES National Research Council of Canada (CA) 1999-04-07 EP disclosed
WO-1997047749-A1 RECOMBINANT α-2,3-SIALYLTRANSFERASES AND THEIR USES NATIONAL RESEARCH COUNCIL OF CANADA (CA) 1997-12-18 WO disclosed