SCHEMBL6965562

SCHEMBL6965562

CN(CCOc1ccc2cc(CC3SC(=O)NC3=O)cnc2c1)c1ccccn1

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 14/20 0.74
RXRA P19793 2/20 0.66
RARG P13631 1/20 0.66
PPARA Q07869 2/20 0.50
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
PKM P14618 2/20 0.44
HTT P42858 1/20 0.44
FFAR1 O14842 3/20 0.44
CYP3A4 P08684 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KMT2A Q03164 1/20 0.42
IKBKB O14920 1/20 0.41

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
SCHEMBL6963261 0.86 PPARG (0.59) PPARGRXRARARGPPARAALDH1A1
Rosiglitazone SCHEMBL11957687 0.85 PPARG (1.00) PPARGRXRARARGPPARAKDM4E
Rosiglitazone SCHEMBL29530259 0.85 PPARG (1.00) PPARGRXRARARGPPARAKDM4E
Rosiglitazone SCHEMBL2355017 0.85 PPARG (1.00) PPARGRXRARARGPPARAKDM4E
Rosiglitazone SCHEMBL7052472 0.85 PPARG (1.00) PPARGRXRARARGPPARAKDM4E
Rosiglitazone SCHEMBL5169 0.85 PPARG (1.00) PPARGRXRARARGPPARAKDM4E
SCHEMBL6965557 0.85 PPARG (0.54) PPARGRXRARARGPPARAFFAR1
Rosiglitazone SCHEMBL1489117 0.84 PPARG (0.98) PPARGRXRARARGPPARAKDM4E
Rosiglitazone SCHEMBL3377103 0.84 PPARG (0.98) PPARGRXRARARGPPARAKDM4E
Rosiglitazone SCHEMBL5468691 0.84 PPARG (0.98) PPARGRXRARARGPPARAKDM4E

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
EP-0787725-B1 QUINOLINE DERIVATIVE NIPPON CHEMIPHAR CO (JP) 2003-04-23 EP disclosed
EP-0787725-A1 QUINOLINE DERIVATIVE NIPPON CHEMIPHAR CO., LTD. (JP) 1997-08-06 EP disclosed