SCHEMBL6213752

SCHEMBL6213752

COc1ccc(CNC(=O)c2ccc3c(c2)c(=O)n(Cc2ccc(CC(=O)O)cc2)c2nccn32)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 3/20 0.53
PPARG P37231 1/20 0.48
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
RXFP1 Q9HBX9 4/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 5/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SLC22A8 Q8TCC7 1/20 0.44
ESR1 P03372 1/20 0.44
ROCK2 O75116 1/20 0.44

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
SCHEMBL6214058 0.88 MMP13 (0.54) MMP13PPARGLMNAPOLBRXFP1
SCHEMBL6724632 0.83 MMP13 (0.53) MMP13PPARGLMNAPOLBRXFP1
SCHEMBL6213632 0.82 ALDH1A1 (0.53) MMP13RXFP1MAPTROCK2
SCHEMBL6212989 0.82 MMP13 (0.54) MMP13PPARGLMNAPOLBRXFP1
SCHEMBL6212954 0.82 MMP13 (0.60) MMP13PPARGLMNAPOLBRXFP1
SCHEMBL6213923 0.80 MMP13 (0.54) MMP13PPARGLMNAPOLBRXFP1
SCHEMBL6213708 0.78 MMP13 (0.52) MMP13PPARGLMNAPOLBRXFP1
SCHEMBL6212605 0.78 PIK3CA (0.46) MMP13RXFP1MAPTROCK2
SCHEMBL6234634 0.77 MMP13 (0.58) MMP13PPARGLMNAPOLBRXFP1
SCHEMBL6213391 0.76 PPARG (0.54) MMP13PPARGLMNAPOLBTP53

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
EP-1362048-B1 TRIAZOLO COMPOUNDS AS MMP INHIBITORS WARNER LAMBERT CO (US) 2005-05-04 EP claimed