SCHEMBL8810752

SCHEMBL8810752

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

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.45
FFAR1 O14842 4/20 0.45
HTR6 P50406 2/20 0.42
PARP1 P09874 1/20 0.41
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.40
ALDH1A1 P00352 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PPARA Q07869 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.38
CNR2 P34972 1/20 0.38
CYP19A1 P11511 2/20 0.38

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
SCHEMBL8809446 0.91 PPARG (0.42) PPARGFFAR1HTR6MAPTALDH1A1
SCHEMBL8812572 0.90 PPARG (0.50) PPARGFFAR1MAPTALDH1A1NPSR1
SCHEMBL8811277 0.90 FFAR1 (0.45) PPARGFFAR1MAPTALDH1A1NPSR1
SCHEMBL8685830 0.90 PPARG (0.47) PPARGFFAR1HTR6MAPTALDH1A1
SCHEMBL8810551 0.90 PPARG (0.48) PPARGFFAR1HTR6MAPTALDH1A1
SCHEMBL8810651 0.90 MPO (0.46) PPARGFFAR1HTR6ALDH1A1NPSR1
SCHEMBL8810925 0.90 PPARG (0.43) PPARGFFAR1MAPTALDH1A1NPSR1
SCHEMBL8814118 0.89 PPARG (0.45) PPARGFFAR1PARP1MAPTALDH1A1
SCHEMBL8811924 0.89 MAPT (0.55) PPARGFFAR1HTR6MAPTALDH1A1
SCHEMBL8813433 0.89 PPARG (0.52) PPARGFFAR1HTR6MAPTALDH1A1

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