SCHEMBL8810885

SCHEMBL8810885

O=C1NC(=O)C(Cc2cn(Cc3cccc(C(F)(F)F)c3)c3ccccc23)S1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.55
ICMT O60725 8/20 0.47
FFAR1 O14842 1/20 0.43
ADAM17 P78536 1/20 0.43
PPARG P37231 1/20 0.43
MAPT P10636 2/20 0.42
MAPK10 P53779 1/20 0.42
LMNA P02545 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TACR1 P25103 1/20 0.41
HTR6 P50406 1/20 0.41
TP53 P04637 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
CHRNB2 P17787 1/20 0.39
CHRNA7 P36544 1/20 0.39
CHRNA4 P43681 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
SCHEMBL8811153 0.89 PPARG (0.53) PARP1FFAR1ADAM17PPARGMAPT
SCHEMBL8809588 0.89 PARP1 (0.47) PARP1ICMTFFAR1PPARGMAPT
SCHEMBL8811116 0.87 ALDH1A1 (0.51) ICMTLMNAALDH1A1CHRNB2CHRNA7
SCHEMBL8811858 0.86 PPARG (0.42) PARP1FFAR1PPARGMAPTALDH1A1
SCHEMBL8685509 0.86 POLB (0.50) FFAR1PPARGLMNAALDH1A1HTR6
SCHEMBL8812653 0.85 ALDH1A1 (0.50) PARP1ICMTFFAR1PPARGMAPT
SCHEMBL8814248 0.84 ALDH1A1 (0.42) PARP1FFAR1PPARGMAPTLMNA
SCHEMBL8810060 0.83 MGAM (0.41) PARP1FFAR1PPARGMAPTLMNA
SCHEMBL8809479 0.83 ALDH1A1 (0.41) PARP1FFAR1PPARGMAPTLMNA
SCHEMBL8811288 0.83 CA2 (0.51) FFAR1PPARGMAPTTP53CHRNB2

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