SCHEMBL7074971

SCHEMBL7074971

O=C(O)CC(CS(=O)(=O)c1ccc(S(=O)(=O)c2ccc(NC3N=CCS3)cc2)cc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 1/20 0.34
GABBR1 Q9UBS5 1/20 0.34
MMP2 P08253 4/20 0.33
MMP9 P14780 4/20 0.33
ALDH1A1 P00352 2/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
PRMT1 Q99873 2/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
BDKRB1 P46663 1/20 0.33
CYP2C9 P11712 1/20 0.32
NAMPT P43490 1/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
MMP1 P03956 1/20 0.32
MMP3 P08254 1/20 0.32
MMP7 P09237 1/20 0.32
MMP8 P22894 1/20 0.32
MMP14 P50281 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 0.85 BDKRB1 (0.34) MMP2MMP9ALDH1A1BDKRB1MMP1
SCHEMBL7076145 0.85 BDKRB1 (0.34) MMP2MMP9ALDH1A1BDKRB1MMP1
SCHEMBL7079307 0.85 BDKRB1 (0.34) MMP2MMP9ALDH1A1BDKRB1MMP1
SCHEMBL7079112 0.77 F10 (0.41) MMP2MMP9ALDH1A1BDKRB1MMP1
SCHEMBL8359555 0.74 POLB (0.46) SMN1; SMN2TP53MAPTMAPK1
SCHEMBL7080823 0.74 GABBR2 (0.49) GABBR2GABBR1MMP2ALDH1A1PRMT1
SCHEMBL8909238 0.73 GABBR2 (0.56) GABBR2GABBR1MMP2ALDH1A1MMP7
SCHEMBL7135413 0.73 GRM4 (0.53) PRMT1HTTSMN1; SMN2TP53MAPK1
SCHEMBL7078041 0.72 RORC (0.47) MMP2ALDH1A1CYP2C9NAMPTMMP8
SCHEMBL7073753 0.71 GABBR2 (0.50) GABBR2GABBR1MMP2ALDH1A1MMP7

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