SCHEMBL328555

SCHEMBL328555

CN(CCN(CC(=O)NO)S(=O)(=O)c1cc(F)c(Oc2ccc(Cl)cc2)c(F)c1)S(=O)(=O)CCN1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 4/20 0.53
BMP1 P13497 1/20 0.47
ALDH1A1 P00352 4/20 0.40
MAPT P10636 1/20 0.40
MMP9 P14780 4/20 0.39
MMP13 P45452 4/20 0.39
MMP2 P08253 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MMP1 P03956 3/20 0.37
MMP7 P09237 1/20 0.36
MMP8 P22894 1/20 0.36
MMP12 P39900 1/20 0.36
ADAM17 P78536 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL6863812 0.92 MMP3 (0.52) MMP3BMP1MMP9MMP13MMP2
SCHEMBL328560 0.92 MMP3 (0.44) MMP3BMP1MMP9MMP13MMP2
SCHEMBL10066483 0.91 MMP3 (0.41) MMP3BMP1ALDH1A1MAPTMMP9
SCHEMBL328557 0.88 ADRB2 (0.43) MMP3BMP1ALDH1A1MAPTMMP9
SCHEMBL328400 0.86 MMP3 (0.51) MMP3BMP1ALDH1A1MAPTMMP9
SCHEMBL6864692 0.86 MMP3 (0.50) MMP3BMP1ALDH1A1MAPTMMP9
SCHEMBL6864658 0.85 MMP3 (0.46) MMP3BMP1ALDH1A1MAPTMMP9
SCHEMBL6865493 0.85 MMP3 (0.42) MMP3BMP1ALDH1A1MMP9MMP13
SCHEMBL328554 0.85 MMP3 (0.48) MMP3BMP1ALDH1A1MAPTMMP9
SCHEMBL328480 0.83 MMP3 (0.47) MMP3BMP1ALDH1A1MAPTMMP9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2428509-A1 Human adam-10 inhibitors Symphony Evolution, Inc. (US) 2012-03-14 EP disclosed
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