SCHEMBL328400

SCHEMBL328400

CN(CCN(CC(=O)NO)S(=O)(=O)c1cc(F)c(Oc2ccc(Cl)cc2)c(F)c1)C(=O)CN1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 3/20 0.51
BMP1 P13497 2/20 0.44
ALDH1A1 P00352 4/20 0.41
MAPT P10636 1/20 0.41
MMP2 P08253 2/20 0.38
MMP9 P14780 2/20 0.38
MMP1 P03956 2/20 0.38
RAB9A P51151 1/20 0.38
ATM Q13315 1/20 0.38
MMP13 P45452 2/20 0.37
MMP7 P09237 1/20 0.37
MMP8 P22894 1/20 0.37
MMP12 P39900 1/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEP1B Q16820 1/20 0.37
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 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
SCHEMBL6864692 0.93 MMP3 (0.50) MMP3BMP1ALDH1A1MAPTMMP2
SCHEMBL328388 0.92 MMP3 (0.43) MMP3BMP1MMP2MMP9MMP1
SCHEMBL328554 0.89 MMP3 (0.48) MMP3BMP1ALDH1A1MAPTMMP2
SCHEMBL328401 0.89 ADRB2 (0.43) MMP3ALDH1A1MAPTMMP1MMP13
SCHEMBL328480 0.88 MMP3 (0.47) MMP3BMP1ALDH1A1MAPTMMP2
SCHEMBL328488 0.86 MMP3 (0.42) MMP3BMP1ALDH1A1MAPTMMP2
SCHEMBL328555 0.86 MMP3 (0.53) MMP3BMP1ALDH1A1MAPTMMP2
SCHEMBL6864658 0.83 MMP3 (0.46) MMP3BMP1ALDH1A1MAPTMMP2
SCHEMBL328412 0.83 MMP3 (0.37) MMP3MMP2MMP9HPGD
SCHEMBL10067178 0.81 MMP3 (0.50) MMP3KDM4E

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