SCHEMBL7754466

SCHEMBL7754466

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.42
AURKB Q96GD4 1/20 0.42
TTR P02766 1/20 0.41
CYP1A2 P05177 3/20 0.39
PHLPP2 Q6ZVD8 1/20 0.38
GLO1 Q04760 1/20 0.37
SENP2 Q9HC62 3/20 0.34
SUMO2 P61956 2/20 0.34
SUMO1 P63165 2/20 0.34
SENP7 Q9BQF6 2/20 0.34
SENP1 Q9P0U3 2/20 0.34
SENP3 Q9H4L4 1/20 0.34
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
NQO1 P15559 1/20 0.34
CYP2C9 P11712 1/20 0.33
MAPK1 P28482 1/20 0.33
DNASE1L3 Q13609 1/20 0.33
ENPP2 Q13822 2/20 0.33

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
SCHEMBL11047153 0.81 AURKA (0.45) AURKAAURKBTTRCYP1A2PHLPP2
SCHEMBL2615797 0.79 AURKA (0.44) AURKAAURKBTTRCYP1A2PHLPP2
SCHEMBL8752857 0.77 TTR (0.36) AURKBTTRCYP1A2CYP2C9MAPK1
SCHEMBL8776100 0.77 TTR (0.36) AURKAAURKBTTRCYP1A2SENP2
SCHEMBL14290611 0.76 CYP1A2 (0.48) AURKAAURKBTTRCYP1A2PHLPP2
SCHEMBL4649791 0.75 NT5E (0.50) AURKAAURKBTTRSENP2SUMO2
SCHEMBL7027692 0.75 AURKA (0.53) AURKAAURKBTTRCYP1A2PHLPP2
SCHEMBL4763755 0.74 TTR (0.46) AURKAAURKBTTRCYP1A2PHLPP2
SCHEMBL11433276 0.74 AURKA (0.47) AURKAAURKBTTRCYP1A2GLO1
SCHEMBL28041867 0.73 TTR (0.45) AURKAAURKBTTRCYP1A2GLO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1086180-A1 TRISAZO AND POLYAZO DYES AND THE MIXTURES THEREOF BASF AKTIENGESELLSCHAFT (DE) 2001-03-28 EP disclosed
WO-1999064520-A1 TRISAZO AND POLYAZO DYES AND THE MIXTURES THEREOF BASF AKTIENGESELLSCHAFT (DE) 1999-12-16 WO disclosed