SCHEMBL8065056

SCHEMBL8065056

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

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 20/20 0.80
SLC22A8 Q8TCC7 1/20 0.65

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
SCHEMBL8070101 0.93 MMP13 (0.72) MMP13SLC22A8
SCHEMBL8071661 0.93 MMP13 (0.81) MMP13SLC22A8
SCHEMBL8070591 0.91 MMP13 (0.81) MMP13SLC22A8
SCHEMBL3806747 0.90 MMP13 (0.84) MMP13SLC22A8
SCHEMBL8069500 0.90 MMP13 (0.84) MMP13SLC22A8
SCHEMBL3750155 0.90 MMP13 (0.84) MMP13SLC22A8
SCHEMBL8065163 0.89 MMP13 (0.88) MMP13SLC22A8
SCHEMBL3805117 0.89 MMP13 (1.00) MMP13SLC22A8
SCHEMBL8068187 0.89 MMP13 (0.88) MMP13SLC22A8
SCHEMBL3805121 0.89 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