SCHEMBL10796013

SCHEMBL10796013

CC(=O)CC(=O)Nc1cccc2c(S(=O)(=O)O)ccc(O)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 2/20 0.48
AURKA O14965 1/20 0.48
CDC7 O00311 1/20 0.43
EEF2K O00418 1/20 0.43
PLK4 O00444 1/20 0.43
DYRK3 O43781 1/20 0.43
PRKD3 O94806 1/20 0.43
MAP4K4 O95819 1/20 0.43
ROS1 P08922 1/20 0.43
AKT2 P31751 1/20 0.43
MATK P42679 1/20 0.43
MAPKAPK2 P49137 1/20 0.43
CLK2 P49760 1/20 0.43
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
RPS6KA3 P51812 1/20 0.43
PLK1 P53350 1/20 0.43
CSNK2A1 P68400 1/20 0.43
CSNK1G2 P78368 1/20 0.43
BTK Q06187 1/20 0.43

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
SCHEMBL11408963 0.87 SNCA (0.45) AURKBAURKACDC7EEF2KPLK4
SCHEMBL9765207 0.87 AURKB (0.52) AURKBAURKACDC7EEF2KPLK4
SCHEMBL10504157 0.83 AURKB (0.52) AURKBAURKACDC7EEF2KPLK4
SCHEMBL10796039 0.82 TIMP3 (0.42) AURKBAURKACDC7EEF2KPLK4
SCHEMBL11441738 0.82 ALDH1A1 (0.47) ALDH1A1CA1CA2CA4CA7
SCHEMBL7894762 0.81 AURKB (0.56) AURKBAURKACDC7EEF2KPLK4
Ammonia Solution, Strong SCHEMBL22574486 0.81 ALDH1A1 (0.46) ALDH1A1CA1CA2CA4CA7
SCHEMBL22574488 0.81 ALDH1A1 (0.46) ALDH1A1CA1CA2CA4CA7
Ammonia Solution, Strong SCHEMBL29466725 0.81 ALDH1A1 (0.46) ALDH1A1CA1CA2CA4CA7
SCHEMBL10791619 0.80 TIMP3 (0.47) AURKBCDC7EEF2KPLK4DYRK3

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
US-4661587-A Bis 1:2 chromium complexes of disazo and azo or azomethine dyes CIBA-GEIGY CORPORATION (US) 1987-04-28 US disclosed