SCHEMBL8073329

SCHEMBL8073329

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

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 20/20 0.78
MMP3 P08254 1/20 0.59
SLC22A8 Q8TCC7 1/20 0.57

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
SCHEMBL8069554 0.93 MMP13 (0.78) MMP13MMP3SLC22A8
SCHEMBL8070799 0.90 MMP13 (0.73) MMP13MMP3SLC22A8
SCHEMBL8055443 0.89 MMP13 (0.76) MMP13MMP3SLC22A8
SCHEMBL8071757 0.89 MMP13 (0.76) MMP13MMP3SLC22A8
SCHEMBL3688006 0.89 MMP13 (0.76) MMP13MMP3SLC22A8
SCHEMBL8073489 0.88 MMP13 (1.00) MMP13MMP3SLC22A8
SCHEMBL3691634 0.88 MMP13 (0.76) MMP13MMP3SLC22A8
SCHEMBL3691632 0.88 MMP13 (0.76) MMP13MMP3SLC22A8
SCHEMBL8071238 0.87 MMP13 (0.77) MMP13MMP3SLC22A8
SCHEMBL8066195 0.86 MMP13 (0.88) MMP13MMP3SLC22A8

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