SCHEMBL328406

SCHEMBL328406

CN(CCN(CC(=O)NO)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)c(F)c1)C(=O)N1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 2/20 0.49
ALDH1A1 P00352 3/20 0.43
MAPT P10636 1/20 0.43
POLB P06746 1/20 0.43
MCOLN3 Q8TDD5 1/20 0.43
BMP1 P13497 2/20 0.42
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MEP1B Q16820 2/20 0.41
MMP1 P03956 2/20 0.40
RAB9A P51151 1/20 0.40
ATM Q13315 1/20 0.40
MMP7 P09237 1/20 0.39
MMP8 P22894 1/20 0.39
MMP12 P39900 1/20 0.39
MMP13 P45452 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL6864106 0.94 MMP3 (0.50) MMP3ALDH1A1MAPTBMP1MEP1B
SCHEMBL328554 0.91 MMP3 (0.48) MMP3ALDH1A1MAPTBMP1MMP2
SCHEMBL6850926 0.91 POLB (0.46) MMP3ALDH1A1MAPTPOLBMCOLN3
SCHEMBL6865718 0.84 MMP3 (0.58) MMP3ALDH1A1MAPTBMP1MMP2
SCHEMBL328417 0.84 MEN1 (0.43) MMP3ALDH1A1MAPTPOLBMCOLN3
SCHEMBL328480 0.83 MMP3 (0.47) MMP3ALDH1A1MAPTPOLBMCOLN3
SCHEMBL328415 0.81 RXFP1 (0.42) MMP3ALDH1A1POLBMCOLN3MEN1
SCHEMBL6864692 0.81 MMP3 (0.50) MMP3ALDH1A1MAPTBMP1MMP2
SCHEMBL328402 0.80 MEP1B (0.44) MMP3ALDH1A1MAPTBMP1MMP2
SCHEMBL328400 0.80 MMP3 (0.51) MMP3ALDH1A1MAPTBMP1MMP2

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