SCHEMBL28816581

SCHEMBL28816581

Nc1c(S(=O)(=O)O)cc2cccc(S(=O)(=O)O)c2c1S(=O)(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.42
FABP4 P15090 1/20 0.42
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
MAPK14 Q16539 1/20 0.42
NR4A1 P22736 1/20 0.41
AURKA O14965 1/20 0.37
AURKB Q96GD4 1/20 0.37
TSHR P16473 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PHLPP2 Q6ZVD8 1/20 0.36
DUSP5 Q16690 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP1A2 P05177 1/20 0.35
ATIC P31939 1/20 0.35
GNG2 P59768 1/20 0.34
GNB1 P62873 1/20 0.34
CA1 P00915 2/20 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
SCHEMBL4383279 0.87 AURKA (0.49) TTRCCNA2CDK2NR4A1AURKA
SCHEMBL27844802 0.86 TTR (0.44) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL27999216 0.83 TTR (0.46) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL7831185 0.82 TTR (0.45) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL6454177 0.79 CYP2D6 (0.51) TTRAURKAAURKBALDH1A1HSD17B10
SCHEMBL28041867 0.79 TTR (0.45) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL9695827 0.78 CYP2D6 (0.50) TTRAURKAAURKBALDH1A1HSD17B10
SCHEMBL28065857 0.78 TTR (0.47) TTRFABP4CCNA2CDK2MAPK14
Potassium SCHEMBL9695842 0.78 CYP2D6 (0.50) TTRAURKAAURKBALDH1A1HSD17B10
SCHEMBL2161129 0.78 AURKA (0.49) TTRFABP4CCNA2CDK2MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104238267-A Coloring combination for color filter and color filter TOYO INK SC HOLDINGS CO LTD 2014-12-24 CN disclosed