SCHEMBL6506244

SCHEMBL6506244

COc1ccc(CC2SC(=O)NC2=O)cc1C#CCN(C)c1nc2ccccc2o1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.46
PPARG P37231 14/20 0.42
CA2 P00918 1/20 0.38
PPARA Q07869 2/20 0.38
FFAR1 O14842 1/20 0.37
ALDH1A1 P00352 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MPC2 O95563 1/20 0.37
CYP2C8 P10632 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL6532082 0.85 PPARG (0.49) PPARGPPARAFFAR1
SCHEMBL6529203 0.83 PPARG (0.44) PTPN1PPARGCA2PPARAFFAR1
Brl-48482 SCHEMBL1850299 0.76 PPARG (0.68) PPARGPPARAFFAR1
SCHEMBL1848402 0.75 PPARG (0.62) PPARGPPARAFFAR1
Brl-48482 SCHEMBL6806392 0.75 PPARG (0.67) PPARGPPARAFFAR1
SCHEMBL1847319 0.74 PPARG (0.61) PPARGPPARAFFAR1
SCHEMBL6506541 0.74 PTPN1 (0.52) PTPN1PPARGCA2PPARAFFAR1
SCHEMBL9803874 0.73 PPARG (0.51) PPARGPPARAFFAR1
SCHEMBL6512658 0.72 PTPN1 (0.45) PTPN1PPARGPPARAFFAR1ALDH1A1
SCHEMBL6527097 0.70 LMNA (0.47) PTPN1CA2ALDH1A1NPSR1

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