SCHEMBL8077141

SCHEMBL8077141

Nc1cccc2ccc(O)c(S(=O)(=O)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
GLO1 Q04760 1/20 0.44
CDK2 P24941 1/20 0.43
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 3/20 0.41
TTR P02766 1/20 0.40
JAK2 O60674 1/20 0.39
RPS6KA3 P51812 1/20 0.39
MELK Q14680 1/20 0.39
STK24 Q9Y6E0 1/20 0.39
NT5E P21589 2/20 0.38
MAPK1 P28482 2/20 0.37
GAA P10253 2/20 0.37
MAPT P10636 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
KMT2A Q03164 1/20 0.37
PHLPP2 Q6ZVD8 1/20 0.37
NR4A1 P22736 1/20 0.36
TYMS P04818 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
SCHEMBL28065908 0.84 AURKA (0.50) AURKAAURKBGLO1CDK2ALDH1A1
SCHEMBL28118203 0.81 AURKA (0.44) AURKAAURKBGLO1CDK2ALDH1A1
SCHEMBL5593735 0.81 TTR (0.39) AURKAAURKBGLO1CDK2ALDH1A1
SCHEMBL28065902 0.81 CDK2 (0.47) AURKAAURKBCDK2ALDH1A1HSD17B10
SCHEMBL11535005 0.79 AURKA (0.53) AURKAAURKBGLO1CDK2ALDH1A1
SCHEMBL1755214 0.77 AURKA (0.49) AURKAAURKBCDK2ALDH1A1HSD17B10
SCHEMBL28118185 0.77 NT5E (0.63) ALDH1A1HSD17B10NT5EMAPK1GAA
SCHEMBL7027692 0.76 AURKA (0.53) AURKAAURKBGLO1CDK2ALDH1A1
SCHEMBL4763755 0.75 TTR (0.46) AURKAAURKBGLO1CDK2ALDH1A1
SCHEMBL179823 0.74 TTR (0.58) AURKAAURKBGLO1CDK2ALDH1A1

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-1032613-A1 REACTIVE DISAZO DYES BASF AKTIENGESELLSCHAFT (DE) 2000-09-06 EP disclosed
WO-1999025772-A1 REACTIVE DISAZO DYES BASF AKTIENGESELLSCHAFT (DE) 1999-05-27 WO disclosed