SCHEMBL6863812

SCHEMBL6863812

CN(CCN(CC(=O)NO)S(=O)(=O)c1cc(F)c(Oc2ccc(Cl)cc2)c(F)c1)S(=O)(=O)CCN1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 3/20 0.52
AHCY P23526 6/20 0.39
MMP1 P03956 6/20 0.37
MMP13 P45452 5/20 0.37
BMP1 P13497 2/20 0.37
MMP8 P22894 2/20 0.37
MMP7 P09237 1/20 0.37
MMP12 P39900 1/20 0.37
MMP9 P14780 5/20 0.37
ADAM17 P78536 3/20 0.37
MEP1B Q16820 1/20 0.37
MMP2 P08253 2/20 0.36
KDM4E B2RXH2 1/20 0.35
MMP14 P50281 1/20 0.35
MMP16 P51512 1/20 0.35

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
SCHEMBL328560 0.94 MMP3 (0.44) MMP3MMP1MMP13BMP1MMP8
SCHEMBL328555 0.92 MMP3 (0.53) MMP3MMP1MMP13BMP1MMP8
SCHEMBL328556 0.91 MMP3 (0.40) MMP3AHCYMMP9MMP2
SCHEMBL328557 0.90 ADRB2 (0.43) MMP3AHCYMMP1MMP13BMP1
SCHEMBL328413 0.86 MMP3 (0.51) MMP3AHCYMMP1MMP13BMP1
SCHEMBL10067178 0.86 MMP3 (0.50) MMP3AHCYKDM4E
SCHEMBL10067173 0.85 MMP3 (0.49) MMP3AHCYMMP1MMP13BMP1
SCHEMBL10067177 0.85 MMP3 (0.44) MMP3MMP1MMP13BMP1MMP8
SCHEMBL6850180 0.84 MMP9 (0.40) MMP3MMP1MMP13MMP9ADAM17
SCHEMBL328649 0.83 MMP1 (0.44) MMP3MMP1MMP13BMP1MMP8

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