SCHEMBL7078705

SCHEMBL7078705

COC(=O)COc1ccc(C=C2SC(=O)NC2=O)cc1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.74
IGF1R P08069 1/20 0.68
PTPN7 P35236 1/20 0.68
DUSP3 P51452 1/20 0.68
PTPN12 Q05209 1/20 0.68
PTPN22 Q9Y2R2 1/20 0.68
PIM1 P11309 4/20 0.67
PIM2 Q9P1W9 3/20 0.67
AKR1B1 P15121 1/20 0.63
NPC1 O15118 1/20 0.63
RAB9A P51151 1/20 0.63
HPGD P15428 4/20 0.62
HDAC4 P56524 1/20 0.59
MAOA P21397 1/20 0.59
MAOB P27338 1/20 0.59
PTGS2 P35354 1/20 0.59
ALOX5 P09917 1/20 0.58
CISD1 Q9NZ45 1/20 0.58

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
SCHEMBL7078703 1.00 GPR35 (0.74) GPR35IGF1RPTPN7DUSP3PTPN12
SCHEMBL7080142 0.88 PIM1 (0.73) GPR35IGF1RPIM1PIM2AKR1B1
SCHEMBL7080145 0.88 PIM1 (0.73) GPR35IGF1RPIM1PIM2AKR1B1
SCHEMBL12891631 0.86 GPR35 (0.78) GPR35PIM1PIM2AKR1B1NPC1
SCHEMBL1248925 0.85 GPR35 (1.00) GPR35PTPN7DUSP3PTPN12PTPN22
SCHEMBL6269580 0.85 GPR35 (1.00) GPR35PTPN7DUSP3PTPN12PTPN22
SCHEMBL1248923 0.85 GPR35 (1.00) GPR35PTPN7DUSP3PTPN12PTPN22
SCHEMBL2733862 0.81 PIM1 (0.81) GPR35PIM1PIM2AKR1B1NPC1
SCHEMBL9376837 0.80 PIM1 (0.73) GPR35PIM1PIM2AKR1B1NPC1
SCHEMBL9376832 0.80 PIM1 (0.73) GPR35PIM1PIM2AKR1B1NPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1114047-B1 AN IMPROVED PROCESS FOR THE PREPARATION OF THIAZOLIDINE-2,4-DIONE DERIVATIVES REDDYS LAB LTD DR (IN) 2003-03-19 EP disclosed
US-6469167-B1 IMPROVED PROCESS FOR THE PREPARATION OF 5-(4-((3-METHYL-4-OXO-3,4-DIHYDROQUINAZOLIN-2-YL)METHOXY)BENZYL) THIAZOLIDINE-2,4-DIONE DR. REDDY'S RESEARCH FOUNDATION (IN) 2002-10-22 US disclosed
EP-1114047-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF THIAZOLIDINE-2,4-DIONE DERIVATIVES DR. REDDY'S RESEARCH FOUNDATION (IN) 2001-07-11 EP disclosed
WO-2000015638-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF THIAZOLIDINE-2,4-DIONE DERIVATIVES DR. REDDY'S RESEARCH FOUNDATION (IN) 2000-03-23 WO disclosed