SCHEMBL6231952

SCHEMBL6231952

COc1ccc(CC2SC(=O)NC2=O)cc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.61
CA2 P00918 1/20 0.52
ALDH1A1 P00352 7/20 0.51
NPSR1 Q6W5P4 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.48
MAOA P21397 2/20 0.48
CISD1 Q9NZ45 2/20 0.48
MAPT P10636 1/20 0.48
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
MAOB P27338 1/20 0.46
PPARG P37231 4/20 0.46
MPC2 O95563 1/20 0.46
CYP2C8 P10632 1/20 0.46
CYP2C9 P11712 1/20 0.46
GFER P55789 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL13846812 0.85 MAOA (0.54) PTPN1CA2ALDH1A1NPSR1MAOA
SCHEMBL8182679 0.83 PTPN1 (0.79) PTPN1CA2ALDH1A1NPSR1MAOA
SCHEMBL9833547 0.83 MAPT (0.52) PTPN1ALDH1A1NPSR1SMN1; SMN2MAOA
SCHEMBL14262660 0.81 PTPN1 (0.68) PTPN1CA2ALDH1A1NPSR1MAOA
SCHEMBL6233368 0.80 PTPN1 (0.67) PTPN1CA2ALDH1A1NPSR1MAOA
SCHEMBL13846691 0.80 PTPN1 (0.67) PTPN1CA2ALDH1A1NPSR1MAOA
SCHEMBL1386331 0.79 ALDH1A1 (0.56) PTPN1CA2ALDH1A1NPSR1MAPT
SCHEMBL14262536 0.79 PTPN1 (0.68) PTPN1CA2ALDH1A1NPSR1SMN1; SMN2
SCHEMBL5707014 0.78 PTPN1 (0.64) PTPN1CA2ALDH1A1NPSR1MAOA
SCHEMBL5500101 0.78 PTPN1 (0.50) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1213287-B1 SUBSTITUTED BENZYLTHIAZOLIDINE-2,4-DIONE DERIVATIVES KYORIN SEIYAKU KK (JP) 2005-05-25 EP disclosed
US-6730687-B1 THERAPY OF METABOLIC DISEASES SUCH AS DIABETES AND HYPERLIPIDEMIA AS AGONISTS OF PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR KYORIN PHARMACEUTICAL CO., LTD. (JP) 2004-05-04 US disclosed
EP-1213287-A1 SUBSTITUTED BENZYLTHIAZOLIDINE-2,4-DIONE DERIVATIVES KYORIN PHARMACEUTICAL CO., LTD. (JP) 2002-06-12 EP disclosed