SCHEMBL6864366

SCHEMBL6864366

CN(CCN(CC(=O)NO)[S+]([O-])c1cc(F)c(Oc2ccc(Cl)cc2)c(F)c1)C(=O)NC(=O)CCl

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MMP1 P03956 5/20 0.33
MMP2 P08253 3/20 0.33
MMP9 P14780 3/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
MEP1B Q16820 3/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.30
SLC9A3 P48764 1/20 0.30
MMP3 P08254 1/20 0.30
MMP8 P22894 1/20 0.30
MMP13 P45452 1/20 0.30
MMP14 P50281 1/20 0.30
MMP16 P51512 1/20 0.30
ADAM17 P78536 1/20 0.30

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
SCHEMBL6863772 0.85 ALDH1A1 (0.35) ALDH1A1L3MBTL1MMP1MMP2MMP9
SCHEMBL6864813 0.85 MMP1 (0.38) ALDH1A1L3MBTL1MMP1MMP2MMP9
SCHEMBL6863775 0.84 MMP1 (0.37) ALDH1A1L3MBTL1MMP1MMP2MMP9
SCHEMBL6864101 0.81 AHCY (0.38) MMP3
SCHEMBL328492 0.80 MMP1 (0.42) MMP1MMP2MMP9CA2CA9
SCHEMBL6865493 0.76 MMP3 (0.42) ALDH1A1L3MBTL1MMP1MMP2MMP9
SCHEMBL6864164 0.76 MMP2 (0.33) MMP1MMP2MMP9MEP1BMMP3
SCHEMBL6864692 0.67 MMP3 (0.50) ALDH1A1L3MBTL1MMP1MMP2MMP9
SCHEMBL10067178 0.66 MMP3 (0.50) CA9MMP3
SCHEMBL328649 0.66 MMP1 (0.44) MMP1MMP2MMP9CA2CA9

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-2011041545-A1 METHODS OF TREATING ANEURYSMAL DILATATION, BLOOD VESSEL WALL WEAKNESS AND SPECIFICALLY ABDOMINAL AORTIC AND THORACIC ANEURYSM USING MATRIX METALLOPROTEASE-2 INHIBITORS SYMPHONY EVOLUTION, INC. (US) 2011-04-07 WO disclosed