SCHEMBL8073339

SCHEMBL8073339

CCc1cccc(CNC(=O)c2cc(-c3nnn(C[C@H]4CC[C@H](CO)CC4)n3)cc(C)n2)c1

nearest known ligand 0.86

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 20/20 0.86
MMP3 P08254 1/20 0.81

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
SCHEMBL8065700 0.94 MMP13 (0.87) MMP13MMP3
SCHEMBL3803239 0.92 MMP13 (1.00) MMP13MMP3
SCHEMBL3803244 0.92 MMP13 (1.00) MMP13MMP3
SCHEMBL3641552 0.92 MMP13 (0.86) MMP13
SCHEMBL8072705 0.92 MMP13 (0.86) MMP13
SCHEMBL8066180 0.92 MMP13 (0.86) MMP13MMP3
SCHEMBL8076563 0.91 MMP13 (0.82) MMP13MMP3
SCHEMBL8067171 0.91 MMP13 (1.00) MMP13MMP3
SCHEMBL3799143 0.91 MMP13 (0.85) MMP13MMP3
SCHEMBL3799147 0.91 MMP13 (0.85) 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