SCHEMBL6689181

SCHEMBL6689181

Cc1ccc(CN2C(=O)S/C(=C\c3ccc(-c4ccccc4)cc3)C2=O)cc1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.70
AKR1B1 P15121 1/20 0.62
ENPP2 Q13822 3/20 0.61
NLRP3 Q96P20 1/20 0.59
PTPN1 P18031 4/20 0.58
ACP1 P24666 4/20 0.58
PTPRF P10586 2/20 0.58
PTPN2 P17706 2/20 0.58
PTPRB P23467 2/20 0.58
MEN1 O00255 1/20 0.58
LMNA P02545 1/20 0.58
KMT2A Q03164 1/20 0.58
CA9 Q16790 1/20 0.56
ALDH1A1 P00352 1/20 0.55

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
SCHEMBL6689183 1.00 PPARG (0.70) PPARGAKR1B1ENPP2NLRP3PTPN1
SCHEMBL12177171 0.96 PPARG (0.71) PPARGAKR1B1ENPP2PTPN1ACP1
SCHEMBL6253587 0.92 PPARG (0.69) PPARGENPP2PTPN1ACP1PTPRF
SCHEMBL6253581 0.92 PPARG (0.69) PPARGENPP2PTPN1ACP1PTPRF
SCHEMBL12177758 0.91 PPARG (0.82) PPARGAKR1B1ENPP2NLRP3PTPN1
SCHEMBL6686162 0.91 PPARG (0.77) PPARGENPP2PTPN1ACP1PTPRF
SCHEMBL6686160 0.91 PPARG (0.77) PPARGENPP2PTPN1ACP1PTPRF
SCHEMBL12177742 0.89 PPARG (0.68) PPARGAKR1B1ENPP2PTPN1ACP1
SCHEMBL12177684 0.87 ENPP2 (0.67) PPARGAKR1B1ENPP2PTPN1ACP1
SCHEMBL12177142 0.87 PPARG (0.63) PPARGENPP2PTPN1ACP1PTPRF

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-2004089276-A2 THIAZOLIDINEDIONE COMPOUNDS WITH HYPOGLYCEMIC PROPERTIES CONSELHO NACIONAL DE DESENVOLVIMENTO CIENTÍFICO E TECNOLÓGICO - CNPQ (BR) 2004-10-21 WO claimed
WO-2004089276-A2 THIAZOLIDINEDIONE COMPOUNDS WITH HYPOGLYCEMIC PROPERTIES CONSELHO NACIONAL DE DESENVOLVIMENTO CIENTÍFICO E TECNOLÓGICO - CNPQ (BR) 2004-10-21 WO disclosed