SCHEMBL5049274

SCHEMBL5049274

O=S(=O)(O)c1ccc2c(O)c(O)ccc2c1.[Na]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.57
CYP1A2 P05177 2/20 0.57
NT5E P21589 3/20 0.56
HSD17B10 Q99714 4/20 0.54
CASP6 P55212 4/20 0.54
ALDH1A1 P00352 4/20 0.54
CYP2C19 P33261 2/20 0.54
NSD2 O96028 3/20 0.51
DUSP3 P51452 2/20 0.51
PTPN5 P54829 2/20 0.51
PTPN11 Q06124 2/20 0.51
TSHR P16473 1/20 0.51
PTPRA P18433 1/20 0.51
PTPRB P23467 1/20 0.51
HIF1A Q16665 1/20 0.51
RAPGEF4 Q8WZA2 1/20 0.51
CASP7 P55210 1/20 0.48
PRMT1 Q99873 1/20 0.47
HPGD P15428 2/20 0.47
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL8728235 1.00 CYP2C9 (0.57) CYP2C9CYP1A2NT5EHSD17B10CASP6
SCHEMBL31254162 1.00 CYP2C9 (0.57) CYP2C9CYP1A2NT5EHSD17B10CASP6
SCHEMBL3926931 0.98 CYP2C9 (0.56) CYP2C9CYP1A2NT5EHSD17B10CASP6
SCHEMBL6412435 0.87 ALDH1A1 (0.53) CYP2C9CYP1A2NT5EHSD17B10CASP6
SCHEMBL28589546 0.86 PTPN22 (0.61) CYP2C9CYP1A2NT5EHSD17B10CASP6
SCHEMBL28065905 0.85 ALDH1A1 (0.54) CYP2C9CYP1A2NT5EHSD17B10CASP6
SCHEMBL31614976 0.85 NT5E (0.56) CYP2C9CYP1A2NT5EHSD17B10CASP6
SCHEMBL5049270 0.84 THRB (0.64) CYP2C9CYP1A2CASP6PRMT1THRB
SCHEMBL10508205 0.84 NT5E (0.54) CYP2C9CYP1A2NT5EHSD17B10CASP6
SCHEMBL3196575 0.82 NT5E (0.61) CYP2C9CYP1A2NT5EHSD17B10CASP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1885776-A2 ION CONDUCTIVE COPOLYMERS CONTAINING ION-CONDUCTING OLIGOMERS Polyfuel Inc. (US) 2008-02-13 EP disclosed
WO-2007100342-A2 ION CONDUCTIVE COPOLYMERS CONTAINING ION-CONDUCTING OLIGOMERS POLYFUEL INC. (US) 2007-09-07 WO disclosed
EP-0267733-A2 Cephalosporin compounds, process for their preparation and pharmaceutical compositions containing them ZENECA Pharma S.A. (FR) 1988-05-18 EP disclosed
US-4271227-A POLY-ACRYLATE OR-ACRYLAMIDE MONOMER AND POLYMERIZATION CATALYST IMPREGNATE CELLULOSIC WEB ANDREWS PAPER & CHEMICAL CO., INC. (US) 1981-06-02 US disclosed