SCHEMBL8281067

SCHEMBL8281067

O=C(NO)C1CCCCC1CS(=O)(=O)c1ccc(Br)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.54
CTDSP1 Q9GZU7 2/20 0.49
POLB P06746 2/20 0.49
MMP2 P08253 5/20 0.41
MMP9 P14780 5/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PLCG1 P19174 1/20 0.40
EPHX2 P34913 1/20 0.40
ADAM17 P78536 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
SCHEMBL4615466 0.84 CTSK (0.77) CTSK
SCHEMBL4615469 0.84 CTSK (0.77) CTSK
SCHEMBL4615462 0.84 CTSK (0.77) CTSK
SCHEMBL56831 0.83 MMP1 (0.51) CTSKMMP2MMP9ADAM17
SCHEMBL61244 0.83 CTSK (0.48) CTSKPOLBMMP2MMP9ADAM17
SCHEMBL22289434 0.74 PLCG1 (0.55) CTDSP1POLBMAPK1HTTALDH1A1
SCHEMBL8281066 0.74 MAPK1 (0.56) MMP2MMP9MAPK1HTTALDH1A1
SCHEMBL4613170 0.73 CTSK (0.78) CTSK
SCHEMBL4614324 0.73 CTSK (0.78) CTSK
SCHEMBL4613061 0.73 CTSK (0.78) CTSK

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
WO-2005092844-A1 NONPEPTIDE INHIBITORS OF MATRIX METALLOPROTEINASES SOUTHERN RESEARCH INSTITUTE (US) 2005-10-06 WO disclosed