SCHEMBL8809446

SCHEMBL8809446

O=C1NC(=O)C(Cc2cccc3c2ccn3Cc2cc(F)cc(F)c2)S1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.42
FFAR1 O14842 6/20 0.42
MPO P05164 1/20 0.38
MAOA P21397 2/20 0.38
CISD1 Q9NZ45 2/20 0.38
MAPT P10636 1/20 0.38
CA2 P00918 1/20 0.37
BRD4 O60885 1/20 0.37
KCNH2 Q12809 1/20 0.36
HTR6 P50406 2/20 0.36
MAOB P27338 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PPARA Q07869 2/20 0.36
MPC2 O95563 1/20 0.36
CYP2C8 P10632 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL8810651 0.93 MPO (0.46) PPARGFFAR1MPOKCNH2HTR6
SCHEMBL8810752 0.91 PPARG (0.45) PPARGFFAR1MAPTHTR6ALDH1A1
SCHEMBL8810925 0.89 PPARG (0.43) PPARGFFAR1MPOMAOACISD1
SCHEMBL8685830 0.87 PPARG (0.47) PPARGFFAR1MPOMAPTCA2
SCHEMBL8810637 0.87 PPARG (0.43) PPARGFFAR1MAOACISD1MAPT
SCHEMBL8810436 0.87 PPARG (0.40) PPARGFFAR1MAOACISD1MAPT
SCHEMBL8808808 0.87 PPARG (0.39) PPARGFFAR1MPOMAOACISD1
SCHEMBL8810060 0.86 MGAM (0.41) PPARGFFAR1MAOACISD1MAPT
SCHEMBL8809686 0.86 HTR6 (0.45) PPARGFFAR1MAPTHTR6ALDH1A1
SCHEMBL8809627 0.86 PPARG (0.41) PPARGFFAR1MAOACISD1MAPT

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