SCHEMBL1798306

SCHEMBL1798306

CC(NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)c(F)c1)C(=O)NO

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 3/20 0.49
MMP9 P14780 3/20 0.49
MMP13 P45452 3/20 0.49
ADAM17 P78536 2/20 0.49
SCN9A Q15858 1/20 0.48
MMP2 P08253 2/20 0.46
MMP3 P08254 1/20 0.46
MMP7 P09237 1/20 0.46
ALDH1A1 P00352 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
GAA P10253 1/20 0.45
MEP1B Q16820 1/20 0.44

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
SCHEMBL1798308 1.00 MMP1 (0.49) MMP1MMP9MMP13ADAM17SCN9A
SCHEMBL1796951 0.87 MMP1 (0.60) MMP1MMP9MMP13ADAM17MMP2
SCHEMBL1796948 0.87 MMP1 (0.60) MMP1MMP9MMP13ADAM17MMP2
SCHEMBL1800798 0.86 MMP1 (0.48) MMP1MMP9MMP13ADAM17MMP2
SCHEMBL1800796 0.86 MMP1 (0.48) MMP1MMP9MMP13ADAM17MMP2
SCHEMBL1796851 0.77 ADAM17 (0.59) MMP1MMP9ADAM17MMP2MMP7
SCHEMBL4372950 0.77 MAPK1 (0.44) MMP1MMP9MMP13ADAM17SCN9A
SCHEMBL1798436 0.77 ADAMTS7 (0.46) MMP13SCN9A
SCHEMBL1798439 0.77 ADAMTS7 (0.46) MMP13SCN9A
SCHEMBL4370904 0.76 ADAM17 (0.51) MMP1MMP9ADAM17MMP2MMP7

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-1461313-B1 HUMAN ADAM-10 INHIBITORS EXELIXIS INC (US) 2009-08-05 EP claimed
US-7951972-B2 Human adam-10 inhibitors EXELIXIS, INC. (US) 2011-05-31 US disclosed