SCHEMBL9317044

SCHEMBL9317044

Cc1oc(-c2ccccc2)nc1CN(C)C(=O)c1ccc(CC2SC(=O)NC2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
THRB P10828 1/20 0.47
PPARG P37231 16/20 0.44
PPARA Q07869 6/20 0.44
KDM4E B2RXH2 2/20 0.43
RARG P13631 1/20 0.42
RXRA P19793 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
KCNH2 Q12809 1/20 0.41
FFAR1 O14842 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
HSP90AA1 P07900 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41

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
Darglitazone SCHEMBL20125582 0.84 PPARG (0.48) PPARGPPARAKDM4ECYP3A4CYP2C9
Darglitazone SCHEMBL37497 0.84 PPARG (0.48) PPARGPPARAKDM4ECYP3A4CYP2C9
Darglitazone SCHEMBL9436449 0.84 PPARG (0.48) PPARGPPARAKDM4ECYP3A4CYP2C9
SCHEMBL9317104 0.83 PPARG (0.44) LMNATP53PPARGPPARAKDM4E
SCHEMBL9370917 0.83 MAPT (0.52) LMNATP53THRBPPARGPPARA
Darglitazone SCHEMBL674635 0.83 PPARG (0.48) PPARGPPARAKDM4ECYP3A4CYP2C9
SCHEMBL9316843 0.82 KDM4E (0.47) PPARGPPARAKDM4ERARGRXRA
SCHEMBL6968221 0.82 PPARG (0.57) PPARGPPARARARGRXRAFFAR1
SCHEMBL9721218 0.81 PPARG (0.55) PPARGPPARA
SCHEMBL9367177 0.80 KDM4E (0.53) PPARGPPARAKDM4ERARGRXRA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5330998-A Anticholesterol agents PFIZER INC. (US) 1994-07-19 US disclosed
EP-0389699-B1 Thiazolidinedione derivatives as hypoglycemic agents PFIZER (US) 1994-05-11 EP disclosed
EP-0389699-A1 Thiazolidinedione derivatives as hypoglycemic agents PFIZER INC. (US) 1990-10-03 EP disclosed
WO-1989008652-A1 THIAZOLIDINEDIONE DERIVATIVES AS HYPOGLYCEMIC AGENTS PFIZER INC. (US) 1989-09-21 WO disclosed