SCHEMBL9129759

SCHEMBL9129759

O=C(NO)c1ccccc1OSSOc1ccccc1C(=O)NO

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIG1 P18858 1/20 0.54
GAA P10253 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MPO P05164 1/20 0.52
HIF1A Q16665 1/20 0.52
LMNA P02545 1/20 0.50
MMP3 P08254 3/20 0.47
HDAC8 Q9BY41 2/20 0.47
CTSD P07339 1/20 0.44
STAT3 P40763 1/20 0.42
MMP2 P08253 3/20 0.42
MMP9 P14780 3/20 0.42
MMP8 P22894 3/20 0.42
MMP12 P39900 3/20 0.42
MMP13 P45452 3/20 0.42
MMP14 P50281 3/20 0.42
MMP16 P51512 3/20 0.42
HDAC3 O15379 1/20 0.42
CA12 O43570 1/20 0.42

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
SCHEMBL6671288 0.78 CTSD (0.70) GAASMN1; SMN2LMNACTSDSTAT3
SCHEMBL201210 0.78 KCNK3 (0.57) LIG1GAASMN1; SMN2KDM4EMPO
SCHEMBL144897 0.78 KDM4E (0.57) SMN1; SMN2KDM4ELMNAHDAC8CA12
Hydrochloric Acid SCHEMBL31097029 0.77 CTSD (0.68) GAASMN1; SMN2LMNACTSDSTAT3
SCHEMBL1331243 0.76 GAA (0.73) LIG1GAASMN1; SMN2KDM4EMPO
SCHEMBL10780944 0.76 LIG1 (0.53) LIG1GAASMN1; SMN2KDM4EMPO
SCHEMBL5302217 0.76 KDM4E (0.65) LIG1GAASMN1; SMN2KDM4EMPO
SCHEMBL974852 0.76 CTNNB1 (0.62) LIG1GAASMN1; SMN2KDM4EMMP3
SCHEMBL28010210 0.76 KDM4E (0.65) LIG1GAASMN1; SMN2KDM4EMPO
SCHEMBL18155070 0.74 LIG1 (0.51) LIG1GAASMN1; SMN2KDM4EMPO

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-5421897-A Applying liquid composition to surface contaminated with lead, solidifying into matrix which sequesters lead, removing matrix GRAWE JOHN (US) 1995-06-06 US disclosed