SCHEMBL8072916

SCHEMBL8072916

COc1cc(CNC(=O)c2cc(-c3nnn(C[C@H]4CCCN(S(C)(=O)=O)C4)n3)cc(C)n2)ccc1F

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 20/20 0.74
SLC22A8 Q8TCC7 1/20 0.56
MMP3 P08254 1/20 0.56

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
SCHEMBL27813832 1.00 MMP13 (0.74) MMP13SLC22A8MMP3
SCHEMBL8060086 1.00 MMP13 (0.74) MMP13SLC22A8MMP3
SCHEMBL3691632 0.96 MMP13 (0.76) MMP13SLC22A8MMP3
SCHEMBL3691634 0.96 MMP13 (0.76) MMP13SLC22A8MMP3
SCHEMBL8068217 0.92 MMP13 (0.80) MMP13SLC22A8MMP3
SCHEMBL8071757 0.89 MMP13 (0.76) MMP13SLC22A8MMP3
SCHEMBL8055443 0.89 MMP13 (0.76) MMP13SLC22A8MMP3
SCHEMBL3688006 0.89 MMP13 (0.76) MMP13SLC22A8MMP3
SCHEMBL3688969 0.88 MMP13 (0.84) MMP13MMP3
SCHEMBL8071745 0.88 MMP13 (0.84) MMP13MMP3

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