SCHEMBL9013628

SCHEMBL9013628

O=S(=O)(O)OS(=O)(=O)N(O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.47
ESR1 P03372 2/20 0.39
PKM P14618 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 3/20 0.34
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PTGES O14684 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
ALOX15 P16050 1/20 0.31
VCAM1 P19320 1/20 0.31

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
SCHEMBL9312419 0.83 ESR1 (0.46) HSP90AA1ESR1PKMTSHRSMN1; SMN2
SCHEMBL6754595 0.76 HSP90AA1 (0.55) HSP90AA1ESR1PKMTSHRSMN1; SMN2
SCHEMBL28488436 0.73 RORC (0.42) HSP90AA1ESR1TSHRSMN1; SMN2L3MBTL1
SCHEMBL5921937 0.70 HSP90AA1 (0.53) HSP90AA1ESR1TSHRSMN1; SMN2NPSR1
SCHEMBL28827595 0.70 HSP90AA1 (0.53) HSP90AA1ESR1PKMTSHRSMN1; SMN2
Biphenyl SCHEMBL10337210 0.69 ALDH1A1 (0.47) PKMTSHRSMN1; SMN2ALDH1A1KDM4E
SCHEMBL450584 0.69 ESR1 (0.52) HSP90AA1ESR1PKMTSHRSMN1; SMN2
SCHEMBL10914265 0.68 ALDH1A1 (0.41) HSP90AA1ESR1PKMTSHRSMN1; SMN2
SCHEMBL9541750 0.68 ALDH1A1 (0.41) HSP90AA1ESR1PKMTSHRSMN1; SMN2
SCHEMBL9717953 0.68 APOBEC3G (0.52) HSP90AA1ESR1PKMTSHRSMN1; SMN2

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
US-5520725-A Dental glass ionomer cement composition GC CORPORATION (JP) 1996-05-28 US disclosed