SCHEMBL8066347

SCHEMBL8066347

Cc1nc(C(=N)NN)cc(C(=O)NCc2ccc(F)c(OCCO)c2)n1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 13/20 0.47
MMP10 P09238 2/20 0.39
MMP8 P22894 2/20 0.39
MMP9 P14780 1/20 0.39
PPARG P37231 1/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NOD2 Q9HC29 1/20 0.36

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
SCHEMBL8055078 0.86 MMP13 (0.47) MMP13MMP10MMP8MMP9PPARG
SCHEMBL3806828 0.82 MMP13 (0.45) MMP13MMP10MMP8MMP9PPARG
SCHEMBL8056484 0.80 MMP13 (0.53) MMP13MMP10MMP8MMP9PPARG
SCHEMBL8071850 0.79 MMP13 (0.52) MMP13ROCK2ROCK1
SCHEMBL8068341 0.77 MMP13 (0.52) MMP13ROCK2ROCK1ALDH1A1MAPK1
SCHEMBL8065850 0.75 MMP13 (0.53) MMP13ROCK2ROCK1ALDH1A1MAPK1
SCHEMBL3762298 0.75 MMP13 (0.53) MMP13ROCK2ROCK1ALDH1A1MAPK1
SCHEMBL13729454 0.75 MMP13 (0.53) MMP13ROCK2ROCK1ALDH1A1MAPK1
SCHEMBL3646064 0.75 MMP13 (0.45) MMP13MMP10MMP8MMP9PPARG
SCHEMBL13729083 0.74 MMP13 (0.55) MMP13ROCK2ROCK1ALDH1A1MAPK1

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