SCHEMBL28065857

SCHEMBL28065857

Nc1ccc2cccc(S(=O)(=O)O)c2c1S(=O)(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.47
FABP4 P15090 1/20 0.46
CCNA2 P20248 1/20 0.46
CDK2 P24941 1/20 0.46
MAPK14 Q16539 1/20 0.46
NR4A1 P22736 1/20 0.45
AURKA O14965 1/20 0.45
AURKB Q96GD4 1/20 0.45
PHLPP2 Q6ZVD8 1/20 0.39
SENP2 Q9HC62 3/20 0.39
SUMO2 P61956 2/20 0.39
SUMO1 P63165 2/20 0.39
SENP7 Q9BQF6 2/20 0.39
SENP1 Q9P0U3 2/20 0.39
SENP3 Q9H4L4 1/20 0.39
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 2/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CASP6 P55212 1/20 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
SCHEMBL7744816 0.85 TTR (0.51) TTRFABP4CCNA2CDK2MAPK14
Sulfuric Acid SCHEMBL10437589 0.85 TTR (0.41) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL11535005 0.83 AURKA (0.53) TTRCCNA2CDK2NR4A1AURKA
SCHEMBL9614841 0.83 TTR (0.50) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL29360969 0.82 TTR (0.58) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL179823 0.82 TTR (0.58) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL27999216 0.81 TTR (0.46) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL9781032 0.81 TTR (0.35) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL28065908 0.81 AURKA (0.50) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL28065902 0.81 CDK2 (0.47) 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-102566269-B Coloured composition, colour filter and display element JSR株式会社 2016-06-15 CN disclosed