SCHEMBL6863772

SCHEMBL6863772

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

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
LTA4H P09960 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
MMP1 P03956 4/20 0.34
MEP1B Q16820 2/20 0.33
CA2 P00918 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
CA9 Q16790 1/20 0.33
TP53 P04637 1/20 0.32
ALOX12 P18054 1/20 0.32
KDM4E B2RXH2 2/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL6864813 0.86 MMP1 (0.38) ALDH1A1KMT2AL3MBTL1MMP1MEP1B
SCHEMBL6863775 0.85 MMP1 (0.37) ALDH1A1KMT2AL3MBTL1MMP1MEP1B
SCHEMBL6864366 0.85 ALDH1A1 (0.34) ALDH1A1L3MBTL1MMP1MEP1BCA2
SCHEMBL328390 0.79 MMP1 (0.43) MMP1MEP1BCA2MMP2MMP9
SCHEMBL6864101 0.78 AHCY (0.38) LTA4HKDM4E
SCHEMBL6865493 0.77 MMP3 (0.42) ALDH1A1MEN1KMT2AL3MBTL1MMP1
SCHEMBL6864164 0.73 MMP2 (0.33) MEN1KMT2AATMLTA4HMMP1
SCHEMBL6852280 0.72 BDKRB1 (0.40) ALDH1A1MEN1KMT2AATMLTA4H
SCHEMBL6865083 0.71 MMP1 (0.48) MMP1MEP1BCA2MMP2MMP9
SCHEMBL328407 0.70 MMP1 (0.43) MMP1MEP1BCA2MMP2MMP9

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