SCHEMBL4372979

SCHEMBL4372979

NCC1CCC(CC(NS(=O)(=O)c2cncc(-c3cccc(F)c3)c2)C(=O)NO)CC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 7/20 0.43
F10 P00742 6/20 0.43
TMPRSS6 Q8IU80 3/20 0.43
ADAMTS7 Q9UKP4 1/20 0.41
ADAMTS5 Q9UNA0 1/20 0.41
USP30 Q70CQ3 1/20 0.39
F2 P00734 3/20 0.38
PLG P00747 3/20 0.38
PLAU P00749 3/20 0.38
F11 P03951 1/20 0.38
MMP7 P09237 3/20 0.38
MMP2 P08253 3/20 0.38
MMP9 P14780 3/20 0.38
MMP1 P03956 2/20 0.38
MMP3 P08254 2/20 0.38
MMP13 P45452 2/20 0.38
MMP8 P22894 1/20 0.37
MMP14 P50281 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
SCHEMBL4372985 1.00 ST14 (0.43) ST14F10TMPRSS6ADAMTS7ADAMTS5
SCHEMBL1798732 0.86 ADAMTS7 (0.44) ST14F10TMPRSS6ADAMTS7ADAMTS5
SCHEMBL1798731 0.86 ADAMTS7 (0.44) ST14F10TMPRSS6ADAMTS7ADAMTS5
SCHEMBL1801383 0.75 ADAMTS7 (0.50) ADAMTS7ADAMTS5USP30PLAUMMP7
SCHEMBL1801386 0.75 ADAMTS7 (0.50) ADAMTS7ADAMTS5USP30PLAUMMP7
SCHEMBL1798952 0.73 ADAMTS7 (0.45) ST14F10TMPRSS6ADAMTS7ADAMTS5
SCHEMBL1798953 0.73 ADAMTS7 (0.45) ST14F10TMPRSS6ADAMTS7ADAMTS5
SCHEMBL1798439 0.72 ADAMTS7 (0.46) ST14F10TMPRSS6ADAMTS7ADAMTS5
SCHEMBL1798436 0.72 ADAMTS7 (0.46) ST14F10TMPRSS6ADAMTS7ADAMTS5
SCHEMBL1798738 0.72 MMP13 (0.58) ADAMTS7ADAMTS5MMP7MMP2MMP9

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-1461313-B1 HUMAN ADAM-10 INHIBITORS EXELIXIS INC (US) 2009-08-05 EP claimed