SCHEMBL8070101

SCHEMBL8070101

Cc1cc(-c2nnn(C[C@H]3CC[C@H](NS(C)(=O)=O)CC3)n2)cc(C(=O)NCc2ccc(F)c(CO)c2)n1

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 20/20 0.72
SLC22A8 Q8TCC7 1/20 0.63

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
SCHEMBL8065056 0.93 MMP13 (0.80) MMP13SLC22A8
SCHEMBL8068061 0.93 MMP13 (0.69) MMP13SLC22A8
SCHEMBL8071661 0.91 MMP13 (0.81) MMP13SLC22A8
SCHEMBL8071684 0.90 MMP13 (0.75) MMP13SLC22A8
SCHEMBL8070591 0.90 MMP13 (0.81) MMP13SLC22A8
SCHEMBL8059418 0.89 MMP13 (0.82) MMP13
SCHEMBL8059359 0.86 MMP13 (0.87) MMP13
SCHEMBL3808667 0.84 MMP13 (0.87) MMP13
SCHEMBL8066105 0.84 MMP13 (1.00) MMP13
SCHEMBL3806626 0.84 MMP13 (1.00) MMP13SLC22A8

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
WO-2009016498-A1 PYRIMIDINE AND PYRIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC. (US) 2009-02-05 WO disclosed