SCHEMBL6506541

SCHEMBL6506541

COc1ccc(CC2SC(=O)NC2=O)cc1C#CCn1c2ccccc2c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.52
CA2 P00918 1/20 0.43
ALDH1A1 P00352 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PPARG P37231 8/20 0.41
FFAR1 O14842 8/20 0.41
MPC2 O95563 1/20 0.41
CYP2C8 P10632 1/20 0.41
CYP2C9 P11712 1/20 0.41
PPARA Q07869 3/20 0.40
MAPT P10636 1/20 0.39
MAOA P21397 1/20 0.39
CISD1 Q9NZ45 1/20 0.39

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
SCHEMBL6509096 0.81 PPARG (0.50) PPARGFFAR1PPARAMAPT
SCHEMBL6527097 0.79 LMNA (0.47) PTPN1CA2ALDH1A1NPSR1MAPT
SCHEMBL6508321 0.78 PTPN1 (0.47) PTPN1CA2ALDH1A1NPSR1PPARG
SCHEMBL6529203 0.77 PPARG (0.44) PTPN1CA2ALDH1A1NPSR1PPARG
SCHEMBL6530507 0.76 PTPN1 (0.46) PTPN1CA2ALDH1A1NPSR1PPARG
SCHEMBL4778234 0.75 KDM4E (0.53) PTPN1ALDH1A1NPSR1PPARGFFAR1
SCHEMBL6513142 0.75 PTPN1 (0.47) PTPN1CA2ALDH1A1NPSR1PPARG
SCHEMBL6516282 0.75 PTPN1 (0.45) PTPN1CA2ALDH1A1NPSR1PPARG
SCHEMBL8182679 0.74 PTPN1 (0.79) PTPN1CA2ALDH1A1NPSR1PPARG
SCHEMBL6505878 0.74 ESRRA (0.58)

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