SCHEMBL328560

SCHEMBL328560

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 3/20 0.44
MMP1 P03956 8/20 0.43
MMP9 P14780 7/20 0.43
MMP13 P45452 7/20 0.43
ADAM17 P78536 4/20 0.43
MMP2 P08253 3/20 0.38
MMP8 P22894 3/20 0.37
BMP1 P13497 2/20 0.37
MMP7 P09237 2/20 0.37
MMP12 P39900 2/20 0.37
MEP1B Q16820 1/20 0.37
MCHR1 Q99705 3/20 0.36
MMP14 P50281 1/20 0.35
MMP16 P51512 1/20 0.35
BDKRB1 P46663 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
SCHEMBL6863812 0.94 MMP3 (0.52) MMP3MMP1MMP9MMP13ADAM17
SCHEMBL328555 0.92 MMP3 (0.53) MMP3MMP1MMP9MMP13ADAM17
SCHEMBL328557 0.91 ADRB2 (0.43) MMP3MMP1MMP9MMP13ADAM17
SCHEMBL6850180 0.91 MMP9 (0.40) MMP3MMP1MMP9MMP13ADAM17
SCHEMBL328388 0.87 MMP3 (0.43) MMP3MMP1MMP9MMP13ADAM17
SCHEMBL6865124 0.85 MMP3 (0.40) MMP3MMP1MMP9MMP13ADAM17
SCHEMBL328556 0.84 MMP3 (0.40) MMP3MMP9MMP2
SCHEMBL328649 0.83 MMP1 (0.44) MMP3MMP1MMP9MMP13MMP2
SCHEMBL10066483 0.83 MMP3 (0.41) MMP3MMP9MMP13MMP2BMP1
SCHEMBL6864612 0.83 BMP1 (0.42) MMP3MMP1MMP9MMP13ADAM17

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
EP-2428509-A1 Human adam-10 inhibitors Symphony Evolution, Inc. (US) 2012-03-14 EP disclosed