SCHEMBL7079112

SCHEMBL7079112

COC(=O)CC(CS(=O)(=O)c1ccc(CCc2cccc(NC3N=CCS3)c2)cc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F10 P00742 10/20 0.41
F2 P00734 9/20 0.41
PRSS1 P07477 8/20 0.41
MMP9 P14780 3/20 0.35
KMT2A Q03164 1/20 0.34
BDKRB1 P46663 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MMP2 P08253 2/20 0.33
MMP8 P22894 2/20 0.33
LMNA P02545 1/20 0.33
MMP1 P03956 1/20 0.33
MMP3 P08254 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32

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
SCHEMBL7075687 0.92 BDKRB1 (0.34) F10F2PRSS1MMP9BDKRB1
SCHEMBL7079307 0.92 BDKRB1 (0.34) F10F2PRSS1MMP9BDKRB1
SCHEMBL7076145 0.92 BDKRB1 (0.34) F10F2PRSS1MMP9BDKRB1
SCHEMBL7074301 0.79 AOC3 (0.39) F10F2PRSS1KMT2AALDH1A1
SCHEMBL7073328 0.78 ALDH1A1 (0.40) F10F2PRSS1KMT2ABDKRB1
SCHEMBL7077874 0.78 F2 (0.46) F10F2PRSS1MMP9ALDH1A1
SCHEMBL7077928 0.78 NPY1R (0.39) F10F2PRSS1KMT2AALDH1A1
SCHEMBL7079158 0.77 SMN1; SMN2 (0.43) F10F2PRSS1KMT2AALDH1A1
SCHEMBL7074971 0.77 GABBR2 (0.34) MMP9BDKRB1ALDH1A1MMP2MMP8
SCHEMBL7077585 0.74 F2 (0.41) F10F2PRSS1MMP9KMT2A

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-2003059872-A1 AVB3 AND AVB5 INTEGRIN ANTAGONISTS AND METHODS OF TREATING DISEASES OR CONDITIONS ASSOCIATED WITH AVB3 AND AVB5 INTEGRINS BAYER PHARMACEUTICALS CORPORATION (US) 2003-07-24 WO disclosed