SCHEMBL6864658

SCHEMBL6864658

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 3/20 0.46
ALDH1A1 P00352 3/20 0.40
MAPT P10636 1/20 0.40
BMP1 P13497 2/20 0.40
MMP2 P08253 3/20 0.37
MMP9 P14780 3/20 0.37
MMP1 P03956 3/20 0.37
MMP8 P22894 2/20 0.36
MMP13 P45452 2/20 0.36
MMP7 P09237 1/20 0.36
MMP12 P39900 1/20 0.36
LMNA P02545 3/20 0.36
MEP1B Q16820 1/20 0.36
RAB9A P51151 1/20 0.36
ATM Q13315 1/20 0.36
MMP14 P50281 1/20 0.35
MMP16 P51512 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL10067177 0.92 MMP3 (0.44) MMP3ALDH1A1MAPTBMP1MMP2
SCHEMBL6850229 0.92 ALDH1A1 (0.39) MMP3ALDH1A1MAPTBMP1MMP2
SCHEMBL6865124 0.92 MMP3 (0.40) MMP3BMP1MMP2MMP9MMP1
SCHEMBL328554 0.88 MMP3 (0.48) MMP3ALDH1A1MAPTBMP1MMP2
SCHEMBL328480 0.86 MMP3 (0.47) MMP3ALDH1A1MAPTBMP1MMP2
SCHEMBL328555 0.85 MMP3 (0.53) MMP3ALDH1A1MAPTBMP1MMP2
SCHEMBL6850151 0.84 ALDH1A1 (0.35) MMP3ALDH1A1MAPTMMP2MMP1
SCHEMBL328650 0.83 MMP9 (0.36) ALDH1A1MAPTMMP2MMP9MMP1
SCHEMBL328400 0.83 MMP3 (0.51) MMP3ALDH1A1MAPTBMP1MMP2
SCHEMBL6863163 0.83 MMP1 (0.44) MMP3BMP1MMP2MMP9MMP1

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