SCHEMBL8809686

SCHEMBL8809686

O=C1NC(=O)C(Cc2cccc3c2ccn3Cc2ccccc2F)S1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.45
PPARG P37231 3/20 0.44
FFAR1 O14842 2/20 0.44
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
NOD2 Q9HC29 1/20 0.42
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
HTT P42858 1/20 0.41
KDM1A O60341 1/20 0.40
DRD2 P14416 2/20 0.40
CYP19A1 P11511 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL8812480 0.92 PPARG (0.41) HTR6PPARGFFAR1NPC1RAB9A
SCHEMBL8809627 0.91 PPARG (0.41) HTR6PPARGFFAR1MAPTDRD2
SCHEMBL8808808 0.89 PPARG (0.39) HTR6PPARGFFAR1MGAMGAA
SCHEMBL8810436 0.89 PPARG (0.40) HTR6PPARGFFAR1MAPTDRD2
SCHEMBL8813817 0.88 FFAR1 (0.43) HTR6PPARGFFAR1ALDH1A1MAPT
SCHEMBL8811306 0.88 RAB9A (0.51) NPC1RAB9ANOD2MGAMGAA
SCHEMBL8685830 0.88 PPARG (0.47) HTR6PPARGFFAR1ALDH1A1MAPT
SCHEMBL8811079 0.87 KDM1A (0.42) PPARGFFAR1MAPTKDM1A
SCHEMBL8810752 0.87 PPARG (0.45) HTR6PPARGFFAR1ALDH1A1SMN1; SMN2
SCHEMBL8812825 0.86 HTR6 (0.46) HTR6PPARGFFAR1ALDH1A1MAPT

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