SCHEMBL7349103

SCHEMBL7349103

CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc(CC(F)(F)F)cc3)s2)[C@@H](C(=O)NO)C1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 7/20 0.39
MMP1 P03956 6/20 0.39
MMP9 P14780 6/20 0.39
MMP13 P45452 4/20 0.39
MMP7 P09237 3/20 0.39
MMP8 P22894 6/20 0.38
ALDH1A1 P00352 1/20 0.38
ADAM17 P78536 1/20 0.38
MMP2 P08253 2/20 0.36
MMP14 P50281 2/20 0.36
MMP25 Q9NPA2 2/20 0.36
HTT P42858 1/20 0.35

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
SCHEMBL7054228 0.90 MMP1 (0.43) MMP3MMP1MMP9MMP13MMP7
SCHEMBL7059354 0.89 MMP3 (0.42) MMP3MMP1MMP9MMP13MMP7
SCHEMBL7053484 0.80 MMP13 (0.46) MMP3MMP1MMP9MMP13MMP7
SCHEMBL7683486 0.79 MMP13 (0.52) MMP3MMP1MMP9MMP13MMP7
SCHEMBL7053853 0.79 MMP13 (0.52) MMP3MMP1MMP9MMP13MMP7
SCHEMBL7059693 0.78 MMP13 (0.51) MMP3MMP1MMP9MMP13MMP7
SCHEMBL7053487 0.77 MMP1 (0.41) MMP3MMP1MMP9MMP13MMP7
SCHEMBL7056106 0.77 MMP3 (0.53) MMP3MMP1MMP9MMP13MMP7
SCHEMBL7057123 0.77 MMP13 (0.46) MMP3MMP1MMP9MMP13MMP7
SCHEMBL7355593 0.77 MMP13 (0.46) MMP3MMP1MMP9MMP13MMP7

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-0948489-A1 PIPERAZINE COMPOUNDS AS INHIBITORS OF MMP OR TNF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-13 EP disclosed
WO-1998027069-A1 PIPERAZINE COMPOUNDS AS INHIBITORS OF MMP OR TNF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-25 WO disclosed