SCHEMBL8810491

SCHEMBL8810491

O=C1NC(=O)C(Cc2cn(Cc3ccc(Cl)cc3)c3ccccc23)S1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.51
HTR6 P50406 1/20 0.49
CYP19A1 P11511 2/20 0.47
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
HTT P42858 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
ALOX12 P18054 1/20 0.46
YES1 P07947 1/20 0.45
KDR P35968 1/20 0.45
JAK3 P52333 1/20 0.45
KCNH2 Q12809 1/20 0.45
KDM1A O60341 1/20 0.45
CNR2 P34972 1/20 0.44
LMNA P02545 1/20 0.44
NR4A1 P22736 1/20 0.44
FFAR1 O14842 2/20 0.44
KDM4E B2RXH2 1/20 0.43
NPY1R P25929 1/20 0.43
NPY2R P49146 1/20 0.43

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
SCHEMBL8685509 0.92 POLB (0.50) PPARGHTR6CYP19A1ALDH1A1NPSR1
SCHEMBL8811662 0.91 CHRNB2 (0.52) PPARGALDH1A1MAPTNPSR1FFAR1
SCHEMBL8813431 0.90 MAPT (0.56) PPARGHTR6ALDH1A1MAPTNPSR1
SCHEMBL8810577 0.90 PARP1 (0.51) CYP19A1ALDH1A1MAPTHTTNPSR1
SCHEMBL8814248 0.88 ALDH1A1 (0.42) PPARGALDH1A1MAPTHTTNPSR1
SCHEMBL8811153 0.87 PPARG (0.53) PPARGHTR6ALDH1A1MAPTFFAR1
SCHEMBL8812051 0.87 HTT (0.52) PPARGCYP19A1ALDH1A1MAPTHTT
SCHEMBL8812572 0.86 PPARG (0.50) PPARGALDH1A1MAPTHTTNPSR1
SCHEMBL8810060 0.85 MGAM (0.41) PPARGCYP19A1ALDH1A1MAPTHTT
SCHEMBL8809683 0.85 FFAR1 (0.57) PPARGFFAR1

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