SCHEMBL29495035

SCHEMBL29495035

COc1c(N)ccc2cc(S(=O)(=O)O)cc(O)c12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NT5E P21589 3/20 0.56
CASP6 P55212 4/20 0.48
ALDH1A1 P00352 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 3/20 0.43
SUMO2 P61956 1/20 0.42
SUMO1 P63165 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP2 Q9HC62 1/20 0.42
CYP1A2 P05177 2/20 0.41
APEX1 P27695 2/20 0.39
PRMT1 Q99873 2/20 0.38
HIF1A Q16665 1/20 0.38
CASP7 P55210 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
SCHEMBL14001578 0.84 NT5E (0.61) NT5ECASP6ALDH1A1HSD17B10CYP2C9
SCHEMBL7791017 0.80 NT5E (0.65) NT5ECASP6ALDH1A1HSD17B10CYP2C9
SCHEMBL27153180 0.80 NT5E (0.65) NT5ECASP6ALDH1A1HSD17B10CYP2C9
SCHEMBL29013483 0.79 ALDH1A1 (0.58) NT5ECASP6ALDH1A1HSD17B10CYP2C9
Hydrochloric Acid SCHEMBL5736496 0.79 NT5E (0.63) NT5ECASP6ALDH1A1HSD17B10CYP2C9
SCHEMBL28996630 0.79 NT5E (0.55) NT5ECASP6ALDH1A1HSD17B10CYP2C9
SCHEMBL11588461 0.78 NT5E (0.62) NT5ECASP6ALDH1A1HSD17B10CYP2C9
SCHEMBL27137150 0.77 ENPP2 (0.47) NT5ECASP6ALDH1A1HSD17B10CYP2C9
SCHEMBL9009313 0.75 NT5E (0.57) NT5ECASP6ALDH1A1HSD17B10CYP2C9
SCHEMBL14647834 0.74 NT5E (0.56) NT5ECASP6ALDH1A1HSD17B10CYP2C9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022071201-A1 POLARIZING ELEMENT, POLARIZING PLATE, AND DISPLAY DEVICE PROVIDED WITH SAME 日本化薬株式会社 2022-04-07 WO disclosed
WO-2022071204-A1 POLARIZING ELEMENT, POLARIZING PLATE AND DISPLAY DEVICE PROVIDED WITH SAME 日本化薬株式会社 2022-04-07 WO disclosed
WO-2022054786-A1 POLARIZING FILM CONTAINING AZO COMPOUND OR SALT THEREOF, POLARIZING PLATE, AND LIQUID CRYSTAL DISPLAY DEVICE 日本化薬株式会社 2022-03-17 WO disclosed