SCHEMBL6513142

SCHEMBL6513142

COc1ccc(CC2SC(=O)NC2=O)cc1C#CCC1(C)NC(=O)c2ccccc2N1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.47
FFAR1 O14842 6/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CA2 P00918 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
PPARG P37231 6/20 0.38
MPC2 O95563 1/20 0.38
CYP2C8 P10632 1/20 0.38
CYP2C9 P11712 1/20 0.38
PPARA Q07869 1/20 0.36
MAPT P10636 1/20 0.35
MAOA P21397 1/20 0.35
CISD1 Q9NZ45 1/20 0.35

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
SCHEMBL6508321 0.76 PTPN1 (0.47) PTPN1FFAR1ALDH1A1CA2NPSR1
SCHEMBL6506541 0.75 PTPN1 (0.52) PTPN1FFAR1ALDH1A1CA2NPSR1
SCHEMBL6513137 0.74 PTPN1 (0.46) PTPN1FFAR1ALDH1A1CA2NPSR1
SCHEMBL8182679 0.70 PTPN1 (0.79) PTPN1FFAR1ALDH1A1KDM4EGLA
SCHEMBL6530507 0.70 PTPN1 (0.46) PTPN1FFAR1ALDH1A1CA2NPSR1
SCHEMBL6527097 0.70 LMNA (0.47) PTPN1ALDH1A1HSD17B10CA2NPSR1
SCHEMBL6506244 0.70 PTPN1 (0.46) PTPN1FFAR1ALDH1A1CA2NPSR1
SCHEMBL6516282 0.69 PTPN1 (0.45) PTPN1FFAR1ALDH1A1CA2NPSR1
SCHEMBL14262660 0.69 PTPN1 (0.68) PTPN1FFAR1ALDH1A1GAACA2
SCHEMBL6529203 0.68 PPARG (0.44) PTPN1FFAR1ALDH1A1CA2NPSR1

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