SCHEMBL6513137

SCHEMBL6513137

COc1ccc(CC2SC(=O)NC2=O)cc1C#CCc1cccc2c1C(=O)NC(C)N2

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.46
CA2 P00918 1/20 0.41
PPARG P37231 6/20 0.39
MPC2 O95563 1/20 0.39
CYP2C8 P10632 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALDH1A1 P00352 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
FFAR1 O14842 6/20 0.37
PPARA Q07869 1/20 0.35
MAOA P21397 2/20 0.35
CISD1 Q9NZ45 2/20 0.35
MAPT P10636 1/20 0.35
MAOB P27338 1/20 0.34

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
SCHEMBL6513142 0.74 PTPN1 (0.47) PTPN1CA2PPARGMPC2CYP2C8
SCHEMBL6508321 0.73 PTPN1 (0.47) PTPN1CA2PPARGMPC2CYP2C8
SCHEMBL6506541 0.73 PTPN1 (0.52) PTPN1CA2PPARGMPC2CYP2C8
SCHEMBL8182679 0.70 PTPN1 (0.79) PTPN1CA2PPARGMPC2CYP2C8
SCHEMBL6530507 0.69 PTPN1 (0.46) PTPN1CA2PPARGMPC2CYP2C8
SCHEMBL6516282 0.69 PTPN1 (0.45) PTPN1CA2PPARGMPC2CYP2C8
SCHEMBL14262660 0.68 PTPN1 (0.68) PTPN1CA2PPARGMPC2CYP2C8
SCHEMBL6527097 0.68 LMNA (0.47) PTPN1CA2ALDH1A1NPSR1MAPT
SCHEMBL6506244 0.68 PTPN1 (0.46) PTPN1CA2PPARGMPC2CYP2C8
SCHEMBL13846691 0.67 PTPN1 (0.67) PTPN1CA2PPARGMPC2CYP2C8

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