SCHEMBL4744682

SCHEMBL4744682

CN(COc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1

nearest known ligand 0.83

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 13/20 0.83
RXRA P19793 2/20 0.73
RARG P13631 1/20 0.73
ESR1 P03372 1/20 0.55
FFAR1 O14842 7/20 0.53
PPARA Q07869 3/20 0.52
CYP3A4 P08684 2/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
TP53 P04637 1/20 0.51
CYP1A2 P05177 1/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.51
KMT2A Q03164 1/20 0.51
HSD17B10 Q99714 1/20 0.51
TDP1 Q9NUW8 1/20 0.51

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
Rosiglitazone SCHEMBL11957687 0.91 PPARG (1.00) PPARGRXRARARGESR1FFAR1
Rosiglitazone SCHEMBL29530259 0.91 PPARG (1.00) PPARGRXRARARGESR1FFAR1
Rosiglitazone SCHEMBL5169 0.91 PPARG (1.00) PPARGRXRARARGESR1FFAR1
Rosiglitazone SCHEMBL2355017 0.91 PPARG (1.00) PPARGRXRARARGESR1FFAR1
Rosiglitazone SCHEMBL7052472 0.91 PPARG (1.00) PPARGRXRARARGESR1FFAR1
Rosiglitazone SCHEMBL5468691 0.90 PPARG (0.98) PPARGRXRARARGESR1FFAR1
SCHEMBL13246974 0.90 PPARG (0.90) PPARGRXRARARGESR1FFAR1
Rosiglitazone SCHEMBL3377103 0.90 PPARG (0.98) PPARGRXRARARGESR1FFAR1
Rosiglitazone SCHEMBL1489117 0.90 PPARG (0.98) PPARGRXRARARGESR1FFAR1
Rosiglitazone SCHEMBL6976956 0.90 PPARG (0.98) PPARGRXRARARGESR1FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1756099-B1 SYNTHESIS OF ANTIDIABETIC ROSIGLITAZONE DERIVATIVES CIPLA LTD (IN) 2008-11-12 EP disclosed