SCHEMBL9570524

SCHEMBL9570524

Nc1ccc(-c2ccc3cc(S(=O)(=O)O)cc(O)c3c2N)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NT5E P21589 4/20 0.55
CASP6 P55212 4/20 0.51
NSD2 O96028 3/20 0.51
DUSP3 P51452 2/20 0.51
PTPN5 P54829 2/20 0.51
PTPN11 Q06124 2/20 0.51
CTDSP1 Q9GZU7 1/20 0.43
ALDH1A1 P00352 5/20 0.43
HSD17B10 Q99714 4/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
TSHR P16473 2/20 0.42
ENPP2 Q13822 2/20 0.40
TDP1 Q9NUW8 1/20 0.38
CYP1A2 P05177 1/20 0.38
APEX1 P27695 2/20 0.38
HIF1A Q16665 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 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
SCHEMBL9570523 0.93 NT5E (0.53) NT5ECASP6NSD2DUSP3PTPN5
SCHEMBL9570516 0.86 NT5E (0.46) NT5ECASP6NSD2DUSP3PTPN5
SCHEMBL7791017 0.79 NT5E (0.65) NT5ECASP6NSD2DUSP3PTPN5
SCHEMBL3912123 0.78 NT5E (0.58) NT5ECASP6NSD2DUSP3PTPN5
Hydrochloric Acid SCHEMBL5736496 0.78 NT5E (0.63) NT5ECASP6NSD2DUSP3PTPN5
SCHEMBL9570521 0.77 NT5E (0.51) NT5ECASP6NSD2DUSP3PTPN5
SCHEMBL9009313 0.77 NT5E (0.57) NT5ECASP6NSD2DUSP3PTPN5
SCHEMBL10332204 0.75 NT5E (0.51) NT5ECASP6NSD2DUSP3PTPN5
SCHEMBL8039915 0.74 NT5E (0.54) NT5ECASP6NSD2DUSP3PTPN5
SCHEMBL9551312 0.73 NT5E (0.53) NT5ECASP6NSD2DUSP3PTPN5

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