SCHEMBL8071111

SCHEMBL8071111

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

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 20/20 0.69
SLC22A8 Q8TCC7 1/20 0.53
MMP3 P08254 1/20 0.53

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
SCHEMBL8071400 0.92 MMP13 (0.75) MMP13SLC22A8MMP3
SCHEMBL8069505 0.92 MMP13 (0.75) MMP13SLC22A8MMP3
SCHEMBL8065491 0.92 MMP13 (0.77) MMP13SLC22A8MMP3
SCHEMBL3809742 0.92 MMP13 (0.75) MMP13SLC22A8MMP3
SCHEMBL8056669 0.89 MMP13 (0.74) MMP13MMP3
SCHEMBL8069512 0.89 MMP13 (0.74) MMP13MMP3
SCHEMBL8077934 0.86 MMP13 (0.80) MMP13SLC22A8MMP3
SCHEMBL8072580 0.86 MMP13 (0.78) MMP13SLC22A8MMP3
SCHEMBL8068529 0.85 MMP13 (0.75) MMP13SLC22A8
SCHEMBL8068019 0.85 MMP13 (0.85) MMP13SLC22A8MMP3

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