SCHEMBL445795

SCHEMBL445795

Nc1ccc(S(=O)(=O)O)c2cc(S(=O)(=O)O)cc(O)c12.[LiH]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.60
AURKB Q96GD4 1/20 0.60
NT5E P21589 3/20 0.53
ALDH1A1 P00352 3/20 0.51
HSD17B10 Q99714 3/20 0.51
CASP6 P55212 3/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
NSD2 O96028 3/20 0.45
DUSP3 P51452 1/20 0.45
PTPN5 P54829 1/20 0.45
PTPN11 Q06124 1/20 0.45
CYP1A2 P05177 1/20 0.43
NR4A1 P22736 1/20 0.43
TTR P02766 1/20 0.40
ENPP2 Q13822 1/20 0.40
GAA P10253 1/20 0.40
PLCG1 P19174 1/20 0.40
DNMT1 P26358 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL156092 0.98 AURKA (0.62) AURKAAURKBNT5EALDH1A1HSD17B10
SCHEMBL29706553 0.98 AURKA (0.62) AURKAAURKBNT5EALDH1A1HSD17B10
SCHEMBL10539390 0.98 AURKA (0.62) AURKAAURKBNT5EALDH1A1HSD17B10
SCHEMBL10539372 0.97 AURKA (0.60) AURKAAURKBNT5EALDH1A1HSD17B10
Aniline SCHEMBL10587235 0.90 AURKA (0.57) AURKAAURKBNT5EALDH1A1HSD17B10
SCHEMBL10782044 0.90 NT5E (0.70) AURKAAURKBNT5EALDH1A1HSD17B10
Monoethanolamine SCHEMBL10589744 0.90 AURKA (0.54) AURKAAURKBNT5EALDH1A1HSD17B10
SCHEMBL10534265 0.89 AURKA (0.52) AURKAAURKBNT5EALDH1A1HSD17B10
SCHEMBL10535974 0.89 AURKA (0.52) AURKAAURKBNT5EALDH1A1HSD17B10
SCHEMBL10539378 0.87 NR4A1 (0.57) AURKAAURKBNT5EALDH1A1HSD17B10

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-8734677-B2 Liquid-crystal coating fluid and polarizing film NITTO DENKO CORPORATION (JP) 2014-05-27 US disclosed
US-20120062829-A1 LIQUID-CRYSTAL COATING FLUID AND POLARIZING FILM NITTO DENKO CORPORATION (JP) 2012-03-15 US disclosed