SCHEMBL8723742

SCHEMBL8723742

O=S(=O)(c1ccccc1)c1cc(O)cc(S(=O)(=O)c2ccccc2)c1O

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.67
GAA P10253 1/20 0.67
GFER P55789 1/20 0.67
HTR6 P50406 5/20 0.52
ATM Q13315 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ERAP1 Q9NZ08 1/20 0.47
HKDC1 Q2TB90 1/20 0.47
NPSR1 Q6W5P4 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
CYTH2 Q99418 1/20 0.44
KMT2A Q03164 1/20 0.43

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
SCHEMBL8066769 0.88 HTR6 (0.58) POLBGAAGFERHTR6ATM
SCHEMBL12903976 0.83 HTR6 (0.57) POLBGAAGFERHTR6ATM
SCHEMBL899970 0.80 POLB (0.58) POLBGAAGFERHTR6ATM
SCHEMBL2862398 0.80 GAA (1.00) POLBGAAGFERHTR6ATM
SCHEMBL18503833 0.78 HTR6 (0.64) POLBGAAGFERHTR6ATM
SCHEMBL12903986 0.78 KMT2A (0.56) POLBGAAGFERHKDC1HTT
SCHEMBL9717678 0.77 HKDC1 (0.77) POLBGAAGFERHTR6HKDC1
SCHEMBL7874449 0.77 HTR6 (0.56) POLBGAAGFERHTR6TDP1
SCHEMBL17774609 0.77 GAA (0.69) POLBGAAGFERHTR6ATM
SCHEMBL979753 0.76 POLB (0.73) POLBGAAGFERHTR6ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0662004-B1 USE OF PERSISTENT FREE-RADICALS IN MAGNETIC RESONANCE IMAGING NYCOMED INNOVATION AB (SE) 1998-03-18 EP disclosed
US-5700448-A Use of persistent free-radicals in magnetic resonance imaging NYCOMED IMAGING AS (NO) 1997-12-23 US disclosed
US-5435991-A Use of persistent heterocyclic free-radicals in magnetic resonance imaging NYCOMED INNOVATION AB (SE) 1995-07-25 US disclosed
EP-0662004-A1 USE OF PERSISTENT FREE-RADICALS IN MAGNETIC RESONANCE IMAGING Nycomed Innovation AB (SE) 1995-07-12 EP disclosed
WO-1993002710-A2 USE OF PERSISTENT FREE RADICALS IN MAGNETIC RESONANCE IMAGING NYCOMED INNOVATION AB (SE) 1993-02-18 WO disclosed
WO-1993002711-A1 USE OF PERSISTENT FREE-RADICALS IN MAGNETIC RESONANCE IMAGING NYCOMED INNOVATION AB (SE) 1993-02-18 WO disclosed