SCHEMBL9570516

SCHEMBL9570516

COc1ccc(-c2ccc3cc(S(=O)(=O)O)cc(O)c3c2N)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NT5E P21589 2/20 0.46
MAPT P10636 3/20 0.42
TP53 P04637 2/20 0.42
MAPK1 P28482 2/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
MAPK10 P53779 1/20 0.42
PTK2B Q14289 1/20 0.42
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
PLAU P00749 2/20 0.41
CASP6 P55212 2/20 0.40
NSD2 O96028 2/20 0.40
DUSP3 P51452 1/20 0.40
PTPN5 P54829 1/20 0.40
PTPN11 Q06124 1/20 0.40
CYP2C9 P11712 3/20 0.39
CYP2C19 P33261 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MEN1 O00255 3/20 0.39

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 0.87 NT5E (0.53) NT5ETSHRCASP6NSD2DUSP3
SCHEMBL9570524 0.86 NT5E (0.55) NT5ETSHRCASP6NSD2DUSP3
SCHEMBL9009313 0.74 NT5E (0.57) NT5EHTTCASP6NSD2DUSP3
SCHEMBL7791017 0.74 NT5E (0.65) NT5ETSHRCASP6NSD2DUSP3
SCHEMBL29495035 0.74 NT5E (0.56) NT5ECASP6NSD2DUSP3PTPN5
SCHEMBL3912123 0.73 NT5E (0.58) NT5EMAPK1CASP6NSD2DUSP3
Hydrochloric Acid SCHEMBL5736496 0.73 NT5E (0.63) NT5ETSHRCASP6NSD2DUSP3
SCHEMBL8039915 0.72 NT5E (0.54) NT5ETSHRCASP6NSD2DUSP3
SCHEMBL14001578 0.72 NT5E (0.61) NT5EHTTCASP6NSD2DUSP3
SCHEMBL9551312 0.71 NT5E (0.53) NT5ETSHRCASP6NSD2DUSP3

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