SCHEMBL328480

SCHEMBL328480

CN(CCN(CC(=O)NO)S(=O)(=O)c1cc(F)c(Oc2ccc(Cl)cc2)c(F)c1)C(=O)C(=O)N1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 2/20 0.47
ALDH1A1 P00352 3/20 0.43
MAPT P10636 1/20 0.43
BMP1 P13497 2/20 0.41
MMP1 P03956 3/20 0.39
MMP7 P09237 2/20 0.39
MMP8 P22894 2/20 0.39
MMP12 P39900 2/20 0.39
MMP13 P45452 2/20 0.39
MMP2 P08253 2/20 0.39
MMP9 P14780 2/20 0.39
RAB9A P51151 2/20 0.38
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MEP1B Q16820 1/20 0.37
LMNA P02545 2/20 0.36
POLB P06746 1/20 0.36
MCOLN3 Q8TDD5 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
SCHEMBL328554 0.92 MMP3 (0.48) MMP3ALDH1A1MAPTBMP1MMP1
SCHEMBL328400 0.88 MMP3 (0.51) MMP3ALDH1A1MAPTBMP1MMP1
SCHEMBL6864692 0.87 MMP3 (0.50) MMP3ALDH1A1MAPTBMP1MMP1
SCHEMBL6864658 0.86 MMP3 (0.46) MMP3ALDH1A1MAPTBMP1MMP1
SCHEMBL328555 0.83 MMP3 (0.53) MMP3ALDH1A1MAPTBMP1MMP1
SCHEMBL328406 0.83 MMP3 (0.49) MMP3ALDH1A1MAPTBMP1MMP1
SCHEMBL328551 0.83 ALDH1A1 (0.36) MMP3ALDH1A1MAPTRAB9APOLB
SCHEMBL328398 0.83 MMP3 (0.45) MMP3ALDH1A1BMP1MMP1MMP7
SCHEMBL328492 0.81 MMP1 (0.42) MMP3BMP1MMP1MMP7MMP8
SCHEMBL328388 0.81 MMP3 (0.43) MMP3BMP1MMP1MMP7MMP8

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 3 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
WO-2011011181-A1 PHARMACOLOGICAL CHAPERONES FOR THE TREATMENT OF ALZHEIMER'S DISEASE AMICUS THERAPEUTICS, INC. (US) 2011-01-27 WO disclosed