SCHEMBL13901547

SCHEMBL13901547

Nc1ccc(C(=O)OS)cc1S(=O)(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 1/20 0.49
CTDSP1 Q9GZU7 1/20 0.40
ALDH1A1 P00352 8/20 0.38
KDM4E B2RXH2 3/20 0.38
GAA P10253 3/20 0.38
HPGD P15428 3/20 0.38
PKM P14618 3/20 0.38
HSD17B10 Q99714 5/20 0.37
CASP1 P29466 3/20 0.37
MAPT P10636 3/20 0.37
CASP7 P55210 2/20 0.37
GLA P06280 1/20 0.37
ATM Q13315 1/20 0.37
TTR P02766 1/20 0.35
NQO1 P15559 1/20 0.35
AURKA O14965 1/20 0.34
AURKB Q96GD4 1/20 0.34
CYP2C19 P33261 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL1755052 0.83 KDM4E (0.56) CDC25BCTDSP1ALDH1A1KDM4EGAA
SCHEMBL1377299 0.80 CDC25B (0.56) CDC25BCTDSP1ALDH1A1KDM4EGAA
SCHEMBL1755175 0.79 CDC25B (0.55) CDC25BCTDSP1ALDH1A1KDM4EHSD17B10
SCHEMBL1363387 0.79 CDC25B (0.76) CDC25BALDH1A1KDM4EGAAHPGD
SCHEMBL11860250 0.77 CDC25B (0.73) CDC25BALDH1A1KDM4EGAAHPGD
SCHEMBL10259579 0.75 CDC25B (0.50) CDC25BCTDSP1ALDH1A1KDM4EGAA
SCHEMBL8958603 0.72 ALDH1A1 (0.52) CDC25BCTDSP1ALDH1A1KDM4EGAA
SCHEMBL11489553 0.71 PBRM1 (0.57) CDC25BALDH1A1HPGDHSD17B10CASP1
SCHEMBL9170125 0.71 CA2 (0.44) CDC25BCTDSP1KDM4EKMT2ASMN1; SMN2
SCHEMBL9179068 0.71 CTDSP1 (0.42) CDC25BCTDSP1ALDH1A1KDM4EGAA

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
EP-1645599-B9 Disazo reactive dyestuffs containing a quaternary ammonium group and their use EVERLIGHT USA INC (US) 2009-03-25 EP disclosed
EP-1645599-B1 Disazo reactive dyestuffs containing a quaternary ammonium group and their use EVERLIGHT USA INC (US) 2008-04-23 EP disclosed