SCHEMBL6516282

SCHEMBL6516282

CNN1c2ccccc2OC1CC#Cc1cc(CC2SC(=O)NC2=O)ccc1OC

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.45
CA2 P00918 1/20 0.38
ALDH1A1 P00352 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PPARG P37231 7/20 0.36
MPC2 O95563 1/20 0.36
CYP2C8 P10632 1/20 0.36
CYP2C9 P11712 1/20 0.36
FFAR1 O14842 4/20 0.35
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAOA P21397 1/20 0.34
CISD1 Q9NZ45 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
SCHEMBL6530507 0.85 PTPN1 (0.46) PTPN1CA2ALDH1A1NPSR1PPARG
SCHEMBL6527097 0.78 LMNA (0.47) PTPN1CA2ALDH1A1NPSR1MAPT
SCHEMBL6529108 0.77 MGAM (0.49) MEN1KMT2A
SCHEMBL6506541 0.75 PTPN1 (0.52) PTPN1CA2ALDH1A1NPSR1PPARG
SCHEMBL6508321 0.74 PTPN1 (0.47) PTPN1CA2ALDH1A1NPSR1PPARG
SCHEMBL6506244 0.70 PTPN1 (0.46) PTPN1CA2ALDH1A1NPSR1PPARG
SCHEMBL6513142 0.69 PTPN1 (0.47) PTPN1CA2ALDH1A1NPSR1PPARG
SCHEMBL6513137 0.69 PTPN1 (0.46) PTPN1CA2ALDH1A1NPSR1PPARG
SCHEMBL8182679 0.69 PTPN1 (0.79) PTPN1CA2ALDH1A1NPSR1PPARG
SCHEMBL6529203 0.68 PPARG (0.44) PTPN1CA2ALDH1A1NPSR1PPARG

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