SCHEMBL6511223

SCHEMBL6511223

CN(CC#Cc1ccc(CC2SC(=O)NC2=O)cc1)c1nc2ccccc2s1

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 15/20 0.70
FFAR1 O14842 6/20 0.43
PPARA Q07869 4/20 0.43
RARG P13631 1/20 0.42
RXRA P19793 1/20 0.42
MAPT P10636 1/20 0.41
MPC2 O95563 1/20 0.40
CYP2C8 P10632 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL2180561 0.82 PPARG (1.00) PPARGFFAR1PPARARARGRXRA
SCHEMBL12521705 0.81 PPARG (0.91) PPARGFFAR1PPARARARGRXRA
SCHEMBL6532082 0.81 PPARG (0.49) PPARGFFAR1PPARARARGRXRA
SCHEMBL12521902 0.81 PPARG (0.90) PPARGFFAR1PPARARARGRXRA
SCHEMBL12521697 0.75 PPARG (1.00) PPARGFFAR1PPARARARGRXRA
SCHEMBL12521711 0.75 PPARG (1.00) PPARGFFAR1PPARARARGRXRA
SCHEMBL1845872 0.73 PPARG (0.82) PPARGFFAR1PPARA
SCHEMBL6508025 0.70 PPARG (0.46) PPARGFFAR1PPARAMAPT
SCHEMBL6508034 0.69 FFAR1 (0.68) PPARGFFAR1PPARAMAPT
SCHEMBL12521703 0.69 PPARG (0.65) PPARGFFAR1PPARARXRA

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-2005100331-A2 ANTIDIABETIC AGENTS RANBAXY LABORATORIES LIMITED (IN) 2005-10-27 WO claimed
WO-2005100331-A2 ANTIDIABETIC AGENTS RANBAXY LABORATORIES LIMITED (IN) 2005-10-27 WO disclosed