SCHEMBL11047153

SCHEMBL11047153

Nc1cccc2cc(S(=O)(=O)O)c(S(=O)(=O)O)c(O)c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.45
AURKB Q96GD4 1/20 0.45
TTR P02766 1/20 0.44
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 1/20 0.40
PHLPP2 Q6ZVD8 1/20 0.39
GLO1 Q04760 1/20 0.39
SUMO2 P61956 1/20 0.36
SUMO1 P63165 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP2 Q9HC62 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
HTT P42858 1/20 0.36
NQO1 P15559 1/20 0.36
ALDH1A1 P00352 4/20 0.36
HSD17B10 Q99714 3/20 0.36
MAPK1 P28482 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL4763755 0.87 TTR (0.46) AURKAAURKBTTRCYP1A2CYP2D6
SCHEMBL28041867 0.86 TTR (0.45) AURKAAURKBTTRCYP1A2CYP2D6
SCHEMBL6747883 0.84 ALDH1A1 (0.53) AURKAAURKBCYP1A2CYP2D6MEN1
SCHEMBL2615797 0.83 AURKA (0.44) AURKAAURKBTTRCYP1A2CYP2D6
SCHEMBL4730731 0.81 ALDH1A1 (0.43) TTRCYP1A2CYP2D6MEN1KMT2A
SCHEMBL7754466 0.81 AURKA (0.42) AURKAAURKBTTRCYP1A2PHLPP2
SCHEMBL14290611 0.80 CYP1A2 (0.48) AURKAAURKBTTRCYP1A2PHLPP2
SCHEMBL7831185 0.79 TTR (0.45) AURKAAURKBTTRCYP1A2CYP2D6
SCHEMBL7027692 0.79 AURKA (0.53) AURKAAURKBTTRCYP1A2PHLPP2
SCHEMBL2161129 0.78 AURKA (0.49) AURKAAURKBTTRCYP1A2CYP2D6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1521808-B1 COMPOSITIONS AND INKS CONTAINING DISAZO DYES FUJIFILM IMAGING COLORANTS LTD (GB) 2012-08-01 EP disclosed
US-4460505-A Dyestuffs, processes for their preparation and their use for dyeing materials containing hydroxyl groups or nitrogen BAYER AKTIENGESELLSCHAFT (DE) 1984-07-17 US disclosed
EP-0012350-B1 AZO DYESTUFFS, THEIR PREPARATION AND THEIR USE IN THE DYEING OF N-CONTAINING MATERIALS BAYER AG (DE) 1982-04-07 EP disclosed