SCHEMBL28019677

SCHEMBL28019677

O=S(=O)(O)c1cc(S(=O)(=O)O)c2c(O)cc(O)cc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NT5E P21589 3/20 0.54
PRMT1 Q99873 2/20 0.48
PTPN1 P18031 2/20 0.43
APEX1 P27695 1/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP1A2 P05177 2/20 0.41
MAPK1 P28482 2/20 0.41
CYP2C9 P11712 3/20 0.40
CYP2C19 P33261 2/20 0.40
HSD17B10 Q99714 2/20 0.40
HIF1A Q16665 1/20 0.40
DNASE1L3 Q13609 1/20 0.40
SUMO2 P61956 1/20 0.40
SUMO1 P63165 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP2 Q9HC62 1/20 0.40
NSD2 O96028 3/20 0.40
CASP6 P55212 3/20 0.39
DUSP3 P51452 2/20 0.39
PTPN5 P54829 2/20 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
SCHEMBL2928135 0.91 NT5E (0.65) NT5EPRMT1PTPN1APEX1ALDH1A1
SCHEMBL29677235 0.91 NT5E (0.65) NT5EPRMT1PTPN1APEX1ALDH1A1
SCHEMBL29677298 0.91 NT5E (0.65) NT5EPRMT1PTPN1APEX1ALDH1A1
SCHEMBL3501682 0.89 NT5E (0.62) NT5EPRMT1PTPN1APEX1ALDH1A1
SCHEMBL9620091 0.82 NT5E (0.52) NT5EPRMT1PTPN1APEX1ALDH1A1
SCHEMBL9340309 0.79 NT5E (0.65) NT5EPRMT1PTPN1APEX1ALDH1A1
SCHEMBL29824256 0.79 NT5E (0.65) NT5EPRMT1ALDH1A1CYP1A2MAPK1
SCHEMBL7890031 0.79 NT5E (0.65) NT5EPRMT1ALDH1A1CYP1A2MAPK1
SCHEMBL66310 0.78 NT5E (0.74) NT5EPRMT1PTPN1APEX1ALDH1A1
SCHEMBL564558 0.78 NT5E (0.74) NT5EPRMT1PTPN1APEX1ALDH1A1

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
CN-104726237-A Yellow-spot-removing dry cleaning agent SHANGHAI PENGGANG IND DEV CO LTD 2015-06-24 CN disclosed