SCHEMBL28065859

SCHEMBL28065859

O=S(=O)(O)c1cccc2c(O)ccc(S(=O)(=O)O)c12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATIC P31939 1/20 0.57
AURKA O14965 1/20 0.54
AURKB Q96GD4 1/20 0.54
SNCA P37840 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
CDK2 P24941 2/20 0.50
APP P05067 1/20 0.50
MAPT P10636 1/20 0.50
THRB P10828 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
CASP1 P29466 1/20 0.50
RECQL P46063 1/20 0.50
HSD17B10 Q99714 1/20 0.50
COMT P21964 1/20 0.50
LDHA P00338 1/20 0.50
TTR P02766 2/20 0.48
CYP1A2 P05177 1/20 0.45
ALPL P05186 1/20 0.44

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
SCHEMBL10361623 0.90 AURKB (0.62) ATICAURKAAURKBSNCATDP1
SCHEMBL2932464 0.86 AURKB (0.67) ATICAURKAAURKBSNCATDP1
SCHEMBL10424564 0.85 ATIC (0.52) ATICAURKAAURKBSNCATDP1
SCHEMBL11423633 0.85 AURKA (0.66) ATICAURKAAURKBSNCATDP1
SCHEMBL11431367 0.85 AURKA (0.66) ATICAURKAAURKBSNCATDP1
SCHEMBL15121284 0.82 LDHA (0.63) ATICAURKAAURKBSNCATDP1
SCHEMBL10422834 0.80 CTSB (0.54) ATICAURKAAURKBTDP1CDK2
SCHEMBL12919700 0.80 AURKB (0.74) ATICAURKAAURKBSNCATDP1
SCHEMBL1413174 0.80 AURKB (0.74) ATICAURKAAURKBSNCATDP1
SCHEMBL29817449 0.80 AURKB (0.74) ATICAURKAAURKBSNCATDP1

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