SCHEMBL6508025

SCHEMBL6508025

Cc1cn(CC#Cc2ccc(CC3SC(=O)NC3=O)cc2)c(-c2ccccc2)n1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARG P37231 11/20 0.46
FFAR1 O14842 9/20 0.46
MAPT P10636 1/20 0.42
PPARA Q07869 3/20 0.42
ALDH1A1 P00352 1/20 0.40
NPSR1 Q6W5P4 1/20 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
SCHEMBL6508034 0.77 FFAR1 (0.68) PPARGFFAR1MAPTPPARA
SCHEMBL6509096 0.73 PPARG (0.50) PPARGFFAR1MAPTPPARA
SCHEMBL6529595 0.72 PPARG (0.48) PPARGFFAR1MAPTPPARAALDH1A1
SCHEMBL6511223 0.70 PPARG (0.70) PPARGFFAR1MAPTPPARA
SCHEMBL2565785 0.69 PPARG (0.69) PPARGFFAR1MAPTPPARAALDH1A1
SCHEMBL166570 0.69 PPARG (0.74) PPARGFFAR1MAPTPPARAALDH1A1
SCHEMBL6505839 0.69 PPARG (0.46) PPARGFFAR1MAPTPPARAALDH1A1
SCHEMBL6052086 0.69 PPARG (0.57) PPARGFFAR1PPARA
SCHEMBL6506192 0.69 MAPT (0.51) PPARGFFAR1MAPTPPARAALDH1A1
SCHEMBL6506248 0.68 PTAFR (0.44) PPARGFFAR1MAPTPPARAALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005100331-A2 ANTIDIABETIC AGENTS RANBAXY LABORATORIES LIMITED (IN) 2005-10-27 WO claimed
WO-2005100331-A2 ANTIDIABETIC AGENTS RANBAXY LABORATORIES LIMITED (IN) 2005-10-27 WO disclosed