SCHEMBL6512658

SCHEMBL6512658

COc1ccc(CC2SC(=O)NC2=O)cc1C#CCOCc1nc(-c2ccccc2)oc1C

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.45
FFAR1 O14842 4/20 0.39
PPARG P37231 10/20 0.38
PPARA Q07869 7/20 0.38
MAPT P10636 1/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
KCNH2 Q12809 1/20 0.37
KDR P35968 1/20 0.37
ALDH1A1 P00352 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL6531845 0.77 PPARG (0.61) FFAR1PPARGPPARAKDR
SCHEMBL4727180 0.77 PPARG (0.57) PTPN1FFAR1PPARGPPARAMAPT
SCHEMBL8137750 0.75 PPARG (0.51) FFAR1PPARGPPARA
SCHEMBL8801421 0.73 PPARG (0.50) PPARGPPARACYP3A4CYP2C9KCNH2
SCHEMBL170065 0.73 PPARG (0.63) PPARGPPARACYP3A4CYP2C9KCNH2
SCHEMBL4283015 0.73 PPARG (0.63) PPARGPPARACYP3A4CYP2C9KCNH2
SCHEMBL9721218 0.73 PPARG (0.55) PPARGPPARA
SCHEMBL6506244 0.72 PTPN1 (0.46) PTPN1FFAR1PPARGPPARACYP2C9
SCHEMBL4727296 0.72 PPARG (0.47) FFAR1PPARGPPARAKDR
SCHEMBL12520521 0.72 PPARG (0.65) PTPN1FFAR1PPARGPPARAMAPT

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-2005058813-A2 THIODIAZOLIDINEDIONE, OXAZOLIDINEDIONE AND DIAZOLIDINEDIONE DERIVATIVES AND THEIR USE AS ANTIDIABETIC AGENTS RANBAXY LABORATORIES LIMITED (IN) 2005-06-30 WO claimed
WO-2005058813-A2 THIODIAZOLIDINEDIONE, OXAZOLIDINEDIONE AND DIAZOLIDINEDIONE DERIVATIVES AND THEIR USE AS ANTIDIABETIC AGENTS RANBAXY LABORATORIES LIMITED (IN) 2005-06-30 WO disclosed