SCHEMBL28065902

SCHEMBL28065902

O=S(=O)(O)c1cccc2ccc(O)c(S(=O)(=O)O)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.47
TTR P02766 2/20 0.47
FABP4 P15090 1/20 0.47
CCNA2 P20248 1/20 0.47
MAPK14 Q16539 1/20 0.47
NR4A1 P22736 1/20 0.46
ATIC P31939 1/20 0.43
MPL P40238 5/20 0.43
CTRC Q99895 2/20 0.43
MAPK1 P28482 2/20 0.41
ALDH1A1 P00352 1/20 0.41
PHLPP2 Q6ZVD8 1/20 0.40
HCRTR1 O43613 1/20 0.40
AURKA O14965 1/20 0.39
AURKB Q96GD4 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
PTPRA P18433 1/20 0.38
PTPRB P23467 1/20 0.38

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 0.87 TTR (0.51) CDK2TTRFABP4CCNA2MAPK14
SCHEMBL13730297 0.84 CDK2 (0.55) CDK2TTRFABP4CCNA2MAPK14
SCHEMBL465006 0.81 CDK2 (0.53) CDK2TTRFABP4CCNA2MAPK14
SCHEMBL8077141 0.81 AURKA (0.45) CDK2TTRNR4A1MPLCTRC
SCHEMBL9464970 0.81 CDK2 (0.46) CDK2TTRFABP4CCNA2MAPK14
SCHEMBL28065857 0.81 TTR (0.47) CDK2TTRFABP4CCNA2MAPK14
SCHEMBL1742117 0.80 TTR (0.59) CDK2TTRFABP4CCNA2MAPK14
SCHEMBL27412761 0.80 AURKA (0.51) CDK2TTRFABP4CCNA2MAPK14
SCHEMBL10354361 0.79 CDK2 (0.51) CDK2TTRFABP4CCNA2MAPK14
SCHEMBL359454 0.78 AURKA (0.47) CDK2TTRFABP4CCNA2MAPK14

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