SCHEMBL328545

SCHEMBL328545

CN(C)c1cccc2c(S(=O)(=O)N(C)CCN(CC(=O)NO)S(=O)(=O)c3cc(F)c(Oc4ccc(Cl)cc4)c(F)c3)cccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.47
HDAC3 O15379 3/20 0.47
HDAC1 Q13547 3/20 0.47
HDAC2 Q92769 3/20 0.47
NCOR2 Q9Y618 3/20 0.47
EDNRA P25101 2/20 0.38
HDAC4 P56524 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
MMP3 P08254 3/20 0.38
MMP1 P03956 4/20 0.37
MMP8 P22894 4/20 0.37
MMP13 P45452 4/20 0.37
MMP2 P08253 3/20 0.37
MMP7 P09237 2/20 0.37
MMP12 P39900 2/20 0.37
MMP9 P14780 2/20 0.37
MMP14 P50281 1/20 0.37
MMP16 P51512 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL6850244 0.91 EDNRA (0.39) HDAC6HDAC3HDAC1HDAC2NCOR2
SCHEMBL328654 0.87 MMP3 (0.36) HDAC6HDAC3HDAC1HDAC2NCOR2
SCHEMBL328652 0.85 P2RX7 (0.40) MMP3MMP1MMP8MMP13MMP2
SCHEMBL6863163 0.84 MMP1 (0.44) MMP3MMP1MMP8MMP13MMP2
SCHEMBL328494 0.84 MMP13 (0.38) MMP3MMP1MMP8MMP13MMP2
SCHEMBL328649 0.83 MMP1 (0.44) MMP3MMP1MMP8MMP13MMP2
SCHEMBL6864397 0.83 MMP1 (0.44) MMP3MMP1MMP8MMP13MMP2
SCHEMBL6864612 0.80 BMP1 (0.42) MMP3MMP1MMP8MMP13MMP2
SCHEMBL328552 0.80 MMP1 (0.45) MMP3MMP1MMP8MMP13MMP2
SCHEMBL6865083 0.79 MMP1 (0.48) MMP3MMP1MMP8MMP13MMP2

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-1511488-B1 HUMAN ADAM-10 INHIBITORS SYMPHONY EVOLUTION INC (US) 2013-05-22 EP disclosed
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