SCHEMBL9570525

SCHEMBL9570525

Nc1c(C(=O)c2ccc(S(=O)(=O)O)cc2)ccc2cc(S(=O)(=O)O)cc(O)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NT5E P21589 4/20 0.49
ALDH1A1 P00352 5/20 0.44
HSD17B10 Q99714 4/20 0.44
CASP6 P55212 3/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
ENPP2 Q13822 2/20 0.43
NSD2 O96028 2/20 0.43
DUSP3 P51452 1/20 0.43
PTPN5 P54829 1/20 0.43
PTPN11 Q06124 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.42
APEX1 P27695 1/20 0.41
SUMO2 P61956 1/20 0.40
SUMO1 P63165 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP2 Q9HC62 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
CA1 P00915 1/20 0.37

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
SCHEMBL9570521 0.94 NT5E (0.51) NT5EALDH1A1HSD17B10CASP6CYP2C9
SCHEMBL27455987 0.85 NT5E (0.48) NT5EALDH1A1HSD17B10CASP6CYP2C9
SCHEMBL9551312 0.82 NT5E (0.53) NT5EALDH1A1HSD17B10CASP6CYP2C9
SCHEMBL27429737 0.82 NT5E (0.50) NT5EALDH1A1HSD17B10CASP6CYP2C9
SCHEMBL7791017 0.77 NT5E (0.65) NT5EALDH1A1HSD17B10CASP6CYP2C9
SCHEMBL9570523 0.77 NT5E (0.53) NT5EALDH1A1HSD17B10CASP6CYP2C9
SCHEMBL3912123 0.76 NT5E (0.58) NT5EALDH1A1HSD17B10CASP6CYP2C9
Hydrochloric Acid SCHEMBL5736496 0.76 NT5E (0.63) NT5EALDH1A1HSD17B10CASP6CYP2C9
SCHEMBL10386275 0.75 NT5E (0.51) NT5EALDH1A1HSD17B10CASP6CYP2C9
SCHEMBL9009313 0.75 NT5E (0.57) NT5EALDH1A1HSD17B10CASP6CYP2C9

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
EP-0530106-A1 Dye-containing polarizing film SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-03-03 EP disclosed