SCHEMBL1800796

SCHEMBL1800796

CC(NS(=O)(=O)c1cc(F)c(Oc2ccc(F)cc2)c(F)c1)C(=O)NO

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 5/20 0.48
▸ MMP13 P45452 4/20 0.48
▸ MMP9 P14780 3/20 0.48
▸ ADAM17 P78536 2/20 0.48
▸ MMP2 P08253 2/20 0.46
▸ MMP3 P08254 1/20 0.46
▸ MMP7 P09237 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ GFER P55789 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL1800798 1.00 MMP1 (0.48) MMP1MMP13MMP9ADAM17MMP2
SCHEMBL1796951 0.86 MMP1 (0.60) MMP1MMP13MMP9ADAM17MMP2
SCHEMBL1796948 0.86 MMP1 (0.60) MMP1MMP13MMP9ADAM17MMP2
SCHEMBL1798306 0.86 MMP1 (0.49) MMP1MMP13MMP9ADAM17MMP2
SCHEMBL1798308 0.86 MMP1 (0.49) MMP1MMP13MMP9ADAM17MMP2
SCHEMBL1797575 0.78 MMP2 (0.43) MMP13MMP9MMP2
SCHEMBL4373478 0.77 F2 (0.48) MMP9MMP2
SCHEMBL1802359 0.76 MMP2 (0.43) MMP1MMP13MMP9ADAM17MMP2
SCHEMBL1798952 0.76 ADAMTS7 (0.45) MMP1MMP13MMP9ADAM17MMP2
SCHEMBL1798953 0.76 ADAMTS7 (0.45) MMP1MMP13MMP9ADAM17MMP2

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
US-7951972-B2 Human adam-10 inhibitors EXELIXIS, INC. (US) 2011-05-31 — — US disclosed
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