SCHEMBL6692200

SCHEMBL6692200

Cc1ccc(CN2C(=O)S/C(=C\c3ccc([N+](=O)[O-])cc3)C2=O)cc1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.68
AKR1B1 P15121 1/20 0.63
MAOA P21397 3/20 0.60
MAOB P27338 3/20 0.60
ENPP2 Q13822 2/20 0.57
MAPT P10636 2/20 0.56
LMNA P02545 1/20 0.56
MEN1 O00255 1/20 0.54
ALDH1A1 P00352 1/20 0.54
POLB P06746 1/20 0.54
CRHBP P24387 1/20 0.54
MAPK1 P28482 1/20 0.54
KMT2A Q03164 1/20 0.54
CRHR2 Q13324 1/20 0.54
NOD2 Q9HC29 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54

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
SCHEMBL6692202 1.00 PPARG (0.68) PPARGAKR1B1MAOAMAOBENPP2
SCHEMBL6686162 0.89 PPARG (0.77) PPARGENPP2LMNAMEN1KMT2A
SCHEMBL6686160 0.89 PPARG (0.77) PPARGENPP2LMNAMEN1KMT2A
SCHEMBL15816888 0.86 PPARG (0.60) PPARGAKR1B1MAOAMAOBENPP2
SCHEMBL15816886 0.86 PPARG (0.60) PPARGAKR1B1MAOAMAOBENPP2
SCHEMBL15816884 0.86 PPARG (0.60) PPARGAKR1B1MAOAMAOBENPP2
SCHEMBL6686570 0.84 PPARG (0.86) PPARGENPP2MAPTMEN1ALDH1A1
SCHEMBL6692673 0.84 PPARG (0.86) PPARGENPP2MAPTMEN1ALDH1A1
SCHEMBL5468379 0.83 MEN1 (0.67) AKR1B1ENPP2MAPTMEN1ALDH1A1
SCHEMBL5468375 0.83 MEN1 (0.67) AKR1B1ENPP2MAPTMEN1ALDH1A1

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