SCHEMBL8022765

SCHEMBL8022765

CC[C@@H](NC(=O)c1ccc(NCc2nccs2)c(N)c1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 4/20 0.50
PPARG P37231 14/20 0.44
HDAC1 Q13547 2/20 0.40

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
SCHEMBL8033200 0.85 KCNK3 (0.47) KCNK3
SCHEMBL8034302 0.83 POLB (0.45) KCNK3PPARGHDAC1
SCHEMBL8028605 0.83 POLB (0.45) KCNK3PPARGHDAC1
SCHEMBL4537201 0.83 PPARG (0.57) KCNK3PPARGHDAC1
SCHEMBL4537762 0.83 PPARG (0.48) PPARGHDAC1
SCHEMBL8032490 0.82 PPARG (0.55) PPARGHDAC1
SCHEMBL4538247 0.80 PPARG (0.59) PPARG
SCHEMBL8038740 0.80 PPARG (0.57) PPARG
SCHEMBL8034326 0.79 PPARG (0.48) PPARG
SCHEMBL8032181 0.79 PPARG (0.59) PPARG

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-2009083526-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-07-09 WO disclosed