SCHEMBL8811277

SCHEMBL8811277

O=C1NC(=O)C(Cc2cccc3c2ccn3Cc2ccc(O)cc2)S1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 9/20 0.45
PPARG P37231 7/20 0.45
MAPT P10636 1/20 0.41
PPARA Q07869 5/20 0.41
ALDH1A1 P00352 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CHRNB2 P17787 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38
KCNH2 Q12809 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
CISD1 Q9NZ45 1/20 0.38
MPC2 O95563 1/20 0.37
CYP2C8 P10632 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL8812572 0.91 PPARG (0.50) FFAR1PPARGMAPTPPARAALDH1A1
SCHEMBL8685830 0.91 PPARG (0.47) FFAR1PPARGMAPTPPARAALDH1A1
SCHEMBL8811924 0.90 MAPT (0.55) FFAR1PPARGMAPTPPARAALDH1A1
SCHEMBL8814118 0.90 PPARG (0.45) FFAR1PPARGMAPTPPARAALDH1A1
SCHEMBL8810752 0.90 PPARG (0.45) FFAR1PPARGMAPTPPARAALDH1A1
SCHEMBL8810415 0.89 FFAR1 (0.43) FFAR1PPARGMAPTPPARAALDH1A1
SCHEMBL8811959 0.89 PPARG (0.43) FFAR1PPARGMAPTPPARAALDH1A1
SCHEMBL8810658 0.88 PPARG (0.42) FFAR1PPARGMAPTPPARAALDH1A1
SCHEMBL8813433 0.88 PPARG (0.52) FFAR1PPARGMAPTPPARAALDH1A1
SCHEMBL8810910 0.88 PPARG (0.52) FFAR1PPARGMAPTPPARACHRNB2

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-0780389-A1 Thiazolidinedione derivatives, process for their preparation and pharmaceutical compositions containing them TOBISHI PHARMACEUTICAL CO., LTD. (JP) 1997-06-25 EP disclosed