SCHEMBL8809588

SCHEMBL8809588

O=C1NC(=O)C(Cc2cccc3c2ccn3Cc2cccc(C(F)(F)F)c2)S1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.47
FFAR1 O14842 2/20 0.43
PPARG P37231 2/20 0.43
MAPT P10636 3/20 0.41
ADCYAP1R1 P41586 1/20 0.41
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
ICMT O60725 5/20 0.41
ATM Q13315 1/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HTT P42858 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
SCHEMBL8810637 0.93 PPARG (0.43) PARP1FFAR1PPARGMAPTADCYAP1R1
SCHEMBL8813433 0.90 PPARG (0.52) FFAR1PPARGMAPTALDH1A1SMN1; SMN2
SCHEMBL8810885 0.89 PARP1 (0.55) PARP1FFAR1PPARGMAPTLMNA
SCHEMBL8810651 0.87 MPO (0.46) FFAR1PPARGLMNAALDH1A1SMN1; SMN2
SCHEMBL8808968 0.87 PPARG (0.41) PARP1FFAR1PPARGMAPTLMNA
SCHEMBL8685830 0.86 PPARG (0.47) FFAR1PPARGMAPTALDH1A1
SCHEMBL8811861 0.85 MAOA (0.47) FFAR1PPARGMAPTLMNATP53
SCHEMBL8810925 0.85 PPARG (0.43) FFAR1PPARGMAPTALDH1A1
SCHEMBL8809446 0.84 PPARG (0.42) FFAR1PPARGMAPTALDH1A1
SCHEMBL8811079 0.83 KDM1A (0.42) FFAR1PPARGMAPT

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