SCHEMBL6865124

SCHEMBL6865124

CN1CCN(C(=O)NS(=O)(=O)N(C)CCN(CC(=O)NO)S(=O)(=O)c2cc(F)c(Oc3ccc(Cl)cc3)c(F)c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 5/20 0.40
MMP1 P03956 6/20 0.39
MMP13 P45452 6/20 0.39
MMP9 P14780 6/20 0.39
ADAM17 P78536 3/20 0.39
MMP8 P22894 3/20 0.37
MMP7 P09237 2/20 0.37
MMP12 P39900 2/20 0.37
MEP1B Q16820 2/20 0.36
BMP1 P13497 3/20 0.36
MMP2 P08253 3/20 0.35
MMP14 P50281 1/20 0.35
MMP16 P51512 1/20 0.35
CA2 P00918 1/20 0.34
CA9 Q16790 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 0.93 MMP3 (0.44) MMP3MMP1MMP13MMP9MMP8
SCHEMBL6864658 0.92 MMP3 (0.46) MMP3MMP1MMP13MMP9MMP8
SCHEMBL328650 0.92 MMP9 (0.36) MMP1MMP13MMP9ADAM17MMP2
SCHEMBL328560 0.85 MMP3 (0.44) MMP3MMP1MMP13MMP9ADAM17
SCHEMBL6850151 0.85 ALDH1A1 (0.35) MMP3MMP1MMP13MMP8MMP2
SCHEMBL6863163 0.84 MMP1 (0.44) MMP3MMP1MMP13MMP9ADAM17
SCHEMBL6850229 0.83 ALDH1A1 (0.39) MMP3MMP9BMP1MMP2
SCHEMBL328388 0.83 MMP3 (0.43) MMP3MMP1MMP13MMP9ADAM17
SCHEMBL328649 0.83 MMP1 (0.44) MMP3MMP1MMP13MMP9MMP8
SCHEMBL6864397 0.82 MMP1 (0.44) MMP3MMP1MMP13MMP9MMP8

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