SCHEMBL6165955

SCHEMBL6165955

CCOC(=O)C(Cc1ccc(-c2cncnc2)cc1)NC(=O)C(CSC(=O)c1ccccc1)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
MME P08473 1/20 0.43
ANPEP P15144 1/20 0.43
MMP12 P39900 2/20 0.42
PPARG P37231 1/20 0.42
CTSL P07711 1/20 0.42
CTSS P25774 1/20 0.42

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
SCHEMBL6163711 1.00 TP53 (0.48) TP53MEN1KMT2AMMEANPEP
SCHEMBL6160300 1.00 TP53 (0.48) TP53MEN1KMT2AMMEANPEP
SCHEMBL6165543 0.85 MMP12 (0.53) MMP12PPARGCTSLCTSS
SCHEMBL6160649 0.84 MMP12 (0.50) KMT2AMMEANPEPMMP12PPARG
SCHEMBL6160645 0.84 MMP12 (0.50) KMT2AMMEANPEPMMP12PPARG
SCHEMBL6169697 0.80 ROCK2 (0.40) PPARGCTSLCTSS
SCHEMBL6160891 0.80 PPARG (0.45) MMEANPEPMMP12PPARG
SCHEMBL6161506 0.80 PPARG (0.45) MMEANPEPMMP12PPARG
SCHEMBL6161005 0.80 PPARG (0.45) MMEANPEPMMP12PPARG
SCHEMBL6163224 0.78 ALDH1A1 (0.46) PPARGCTSLCTSS

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-0877740-B1 THIOL DERIVATIVES WITH METALLOPEPTIDASE INHIBITORY ACTIVITY ZAMBON SPA (IT) 2005-03-30 EP disclosed