SCHEMBL8808808

SCHEMBL8808808

O=C1NC(=O)C(Cc2cccc3c2ccn3Cc2cc(F)ccc2F)S1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.39
FFAR1 O14842 4/20 0.39
CA2 P00918 1/20 0.39
KCNH2 Q12809 1/20 0.38
HTR6 P50406 3/20 0.36
RIPK1 Q13546 1/20 0.36
MAOA P21397 2/20 0.34
CISD1 Q9NZ45 2/20 0.34
MAPT P10636 1/20 0.34
DRD2 P14416 1/20 0.34
HPGD P15428 1/20 0.34
MPO P05164 1/20 0.34
PPARA Q07869 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAOB P27338 1/20 0.33

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
SCHEMBL8810436 0.92 PPARG (0.40) PPARGFFAR1CA2KCNH2HTR6
SCHEMBL8809686 0.89 HTR6 (0.45) PPARGFFAR1HTR6MAPTDRD2
SCHEMBL8810651 0.88 MPO (0.46) PPARGFFAR1KCNH2HTR6DRD2
SCHEMBL8810752 0.88 PPARG (0.45) PPARGFFAR1HTR6MAPTPPARA
SCHEMBL8810550 0.87 MGAM (0.40) PPARGFFAR1CA2KCNH2MAPT
SCHEMBL8809446 0.87 PPARG (0.42) PPARGFFAR1CA2KCNH2HTR6
SCHEMBL8812480 0.86 PPARG (0.41) PPARGFFAR1CA2KCNH2HTR6
SCHEMBL8810925 0.86 PPARG (0.43) PPARGFFAR1CA2KCNH2MAOA
SCHEMBL8809627 0.85 PPARG (0.41) PPARGFFAR1CA2KCNH2HTR6
SCHEMBL8811842 0.84 CA2 (0.48) PPARGFFAR1CA2MAPTALDH1A1

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