SCHEMBL8813433

SCHEMBL8813433

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

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.52
FFAR1 O14842 7/20 0.46
HTR6 P50406 1/20 0.40
GCGR P47871 2/20 0.40
MAPT P10636 2/20 0.39
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
GAA P10253 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
PPARA Q07869 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL8810637 0.91 PPARG (0.43) PPARGFFAR1MAPTSMN1; SMN2KDM4E
SCHEMBL8809588 0.90 PARP1 (0.47) PPARGFFAR1MAPTALDH1A1SMN1; SMN2
SCHEMBL8810752 0.89 PPARG (0.45) PPARGFFAR1HTR6MAPTALDH1A1
SCHEMBL8812572 0.88 PPARG (0.50) PPARGFFAR1MAPTALDH1A1PPARA
SCHEMBL8811277 0.88 FFAR1 (0.45) PPARGFFAR1MAPTALDH1A1CYP2C9
SCHEMBL8685830 0.87 PPARG (0.47) PPARGFFAR1HTR6MAPTALDH1A1
SCHEMBL8811153 0.87 PPARG (0.53) PPARGFFAR1HTR6MAPTALDH1A1
SCHEMBL8814118 0.87 PPARG (0.45) PPARGFFAR1MAPTALDH1A1SMN1; SMN2
SCHEMBL8810658 0.87 PPARG (0.42) PPARGFFAR1MAPTALDH1A1PPARA
SCHEMBL8811924 0.87 MAPT (0.55) 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 3 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
CN-1167111-A Thiazolidinedione derivatives, method for preparing derivatives and pharmaceutical compositions containing same SENGA PHARMACEUTICAL LAB INC (JP) 1997-12-10 CN disclosed
EP-0780389-A1 Thiazolidinedione derivatives, process for their preparation and pharmaceutical compositions containing them TOBISHI PHARMACEUTICAL CO., LTD. (JP) 1997-06-25 EP disclosed