SCHEMBL6967655

SCHEMBL6967655

O=C(NO)OC1(NS(=O)(=O)c2ccc(Oc3ccc(F)cc3)cc2)CCNCC1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 16/20 0.60
MMP1 P03956 15/20 0.60
MMP3 P08254 8/20 0.54
MMP9 P14780 6/20 0.54
MMP2 P08253 4/20 0.54
MMP8 P22894 4/20 0.54
MMP14 P50281 3/20 0.54
MMP12 P39900 1/20 0.54
MMP10 P09238 4/20 0.46
ADAM17 P78536 1/20 0.46
KCNH2 Q12809 2/20 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
SCHEMBL6967193 0.92 MMP1 (0.66) MMP13MMP1MMP3MMP9MMP2
SCHEMBL6965530 0.90 MMP1 (0.67) MMP13MMP1MMP3MMP9MMP2
SCHEMBL6957161 0.90 MMP1 (0.67) MMP13MMP1MMP3MMP9MMP2
SCHEMBL6955310 0.89 MMP1 (0.59) MMP13MMP1MMP3MMP9MMP2
SCHEMBL6968323 0.89 MMP1 (0.68) MMP13MMP1MMP3MMP9MMP2
SCHEMBL7208089 0.83 MMP1 (0.67) MMP13MMP1MMP3MMP9MMP2
SCHEMBL6954815 0.82 MMP1 (0.57) MMP13MMP1MMP3MMP9MMP2
SCHEMBL6968116 0.82 MMP1 (0.56) MMP13MMP1MMP3MMP9MMP2
SCHEMBL6056967 0.82 MMP1 (0.84) MMP13MMP1MMP3MMP9MMP2
SCHEMBL7214282 0.81 MMP1 (0.68) MMP13MMP1MMP3MMP9MMP2

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-0977733-B1 ARYLSULFONYLAMINO HYDROXAMIC ACID DERIVATIVES PFIZER PROD INC (US) 2003-09-03 EP claimed