SCHEMBL28065908

SCHEMBL28065908

Nc1cccc2ccc(S(=O)(=O)O)c(S(=O)(=O)O)c12

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 2/20 0.49
FABP4 P15090 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
MAPK14 Q16539 1/20 0.41
NR4A1 P22736 2/20 0.40
JAK2 O60674 1/20 0.40
RPS6KA3 P51812 1/20 0.40
MELK Q14680 1/20 0.40
STK24 Q9Y6E0 1/20 0.40
GLO1 Q04760 1/20 0.39
CTRB1 P17538 1/20 0.38
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 3/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 1/20 0.38
CASP6 P55212 1/20 0.38
TYMS P04818 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
SCHEMBL8077141 0.84 AURKA (0.45) AURKAAURKBTTRCDK2NR4A1
SCHEMBL7027692 0.84 AURKA (0.53) AURKAAURKBTTRFABP4CCNA2
SCHEMBL7744816 0.83 TTR (0.51) AURKAAURKBTTRFABP4CCNA2
SCHEMBL179823 0.83 TTR (0.58) AURKAAURKBTTRFABP4CCNA2
SCHEMBL29360969 0.83 TTR (0.58) AURKAAURKBTTRFABP4CCNA2
SCHEMBL5593735 0.83 TTR (0.39) AURKAAURKBTTRFABP4CCNA2
SCHEMBL4763755 0.83 TTR (0.46) AURKAAURKBTTRFABP4CCNA2
SCHEMBL21240726 0.81 TTR (0.56) AURKAAURKBTTRFABP4CCNA2
Water SCHEMBL7765550 0.81 TTR (0.56) AURKAAURKBTTRFABP4CCNA2
SCHEMBL2984538 0.81 TTR (0.56) AURKAAURKBTTRFABP4CCNA2

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