SCHEMBL8068341

SCHEMBL8068341

COc1cc(CNC(=O)c2cc(C(N)=O)nc(C)n2)ccc1F

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 6/20 0.52
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
NOD2 Q9HC29 1/20 0.50
ROCK2 O75116 1/20 0.48
ROCK1 Q13464 1/20 0.48
ALDH1A1 P00352 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48

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
SCHEMBL3762298 0.90 MMP13 (0.53) MMP13MEN1KMT2ANOD2ROCK2
SCHEMBL13729454 0.90 MMP13 (0.53) MMP13MEN1KMT2ANOD2ROCK2
SCHEMBL8066237 0.89 MMP13 (0.49) MMP13MEN1KMT2ANOD2ROCK2
SCHEMBL8065850 0.88 MMP13 (0.53) MMP13MEN1KMT2ANOD2ROCK2
SCHEMBL8067164 0.87 MMP13 (0.54) MMP13MEN1KMT2ANOD2ROCK2
SCHEMBL13729083 0.86 MMP13 (0.55) MMP13MEN1KMT2ANOD2ROCK2
SCHEMBL13728389 0.85 MMP13 (0.55) MMP13MEN1KMT2ANOD2ROCK2
SCHEMBL8071335 0.85 MMP13 (0.58) MMP13MEN1KMT2ANOD2ROCK2
SCHEMBL13729214 0.85 MMP13 (0.51) MMP13MEN1KMT2ANOD2ROCK2
SCHEMBL3692307 0.84 MMP13 (0.51) MMP13MEN1KMT2ANOD2ROCK2

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