SCHEMBL8069587

SCHEMBL8069587

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

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 20/20 0.72
MMP3 P08254 1/20 0.52

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
SCHEMBL8068867 1.00 MMP13 (0.72) MMP13MMP3
SCHEMBL8066239 0.93 MMP13 (0.72) MMP13
SCHEMBL8070962 0.88 MMP13 (0.69) MMP13
SCHEMBL3757092 0.88 MMP13 (0.69) MMP13
SCHEMBL8067977 0.88 MMP13 (0.69) MMP13
SCHEMBL8073489 0.83 MMP13 (1.00) MMP13MMP3
SCHEMBL8071832 0.82 MMP13 (0.71) MMP13
SCHEMBL8066195 0.82 MMP13 (0.88) MMP13MMP3
SCHEMBL8065705 0.81 MMP13 (0.87) MMP13MMP3
SCHEMBL8065070 0.81 MMP13 (0.87) 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