SCHEMBL9570523

SCHEMBL9570523

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NT5E P21589 4/20 0.53
ALDH1A1 P00352 4/20 0.48
CASP6 P55212 3/20 0.48
HSD17B10 Q99714 3/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
NSD2 O96028 3/20 0.46
DUSP3 P51452 2/20 0.46
PTPN5 P54829 2/20 0.46
PTPN11 Q06124 2/20 0.46
ENPP2 Q13822 2/20 0.42
SUMO2 P61956 1/20 0.42
SUMO1 P63165 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP2 Q9HC62 1/20 0.42
TSHR P16473 1/20 0.40
PTPN1 P18031 2/20 0.39
CYP1A2 P05177 1/20 0.39
APEX1 P27695 1/20 0.39
HIF1A Q16665 1/20 0.38

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
SCHEMBL9570524 0.93 NT5E (0.55) NT5EALDH1A1CASP6HSD17B10CYP2C9
SCHEMBL9570516 0.87 NT5E (0.46) NT5EALDH1A1CASP6HSD17B10CYP2C9
SCHEMBL7791017 0.80 NT5E (0.65) NT5EALDH1A1CASP6HSD17B10CYP2C9
Hydrochloric Acid SCHEMBL5736496 0.79 NT5E (0.63) NT5EALDH1A1CASP6HSD17B10CYP2C9
SCHEMBL3912123 0.79 NT5E (0.58) NT5EALDH1A1CASP6HSD17B10CYP2C9
SCHEMBL9009313 0.78 NT5E (0.57) NT5EALDH1A1CASP6HSD17B10CYP2C9
SCHEMBL9570525 0.77 NT5E (0.49) NT5EALDH1A1CASP6HSD17B10CYP2C9
SCHEMBL10332204 0.76 NT5E (0.51) NT5EALDH1A1CASP6HSD17B10CYP2C9
SCHEMBL10384210 0.76 NT5E (0.51) NT5EALDH1A1CASP6HSD17B10CYP2C9
SCHEMBL8039915 0.75 NT5E (0.54) NT5EALDH1A1CASP6HSD17B10CYP2C9

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