SCHEMBL9316718

SCHEMBL9316718

Cc1oc(-c2ccccc2)nc1CCSc1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.50
KDM4E B2RXH2 1/20 0.49
PPARG P37231 11/20 0.48
PPARA Q07869 10/20 0.48
KDM1A O60341 2/20 0.48
PPARD Q03181 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PDE10A Q9Y233 1/20 0.44
HPGD P15428 1/20 0.43

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
SCHEMBL9316885 0.84 KDM4E (0.49) HRH3KDM4EPPARGPPARAKDM1A
SCHEMBL5103297 0.78 PPARA (0.77) PPARGPPARAPPARD
SCHEMBL9317355 0.77 PPARG (0.49) HRH3KDM4EPPARGPPARAPPARD
SCHEMBL6700058 0.76 PPARA (0.78) PPARGPPARAPPARD
SCHEMBL4389491 0.76 HRH3 (0.61) HRH3KDM4EPPARGPPARAKDM1A
SCHEMBL9370030 0.76 PIM1 (0.45) HRH3KDM4EPPARGPPARAHPGD
SCHEMBL9316520 0.76 PIM1 (0.45) HRH3KDM4EPPARGPPARAHPGD
SCHEMBL4892704 0.75 PPARG (0.53) HRH3KDM4EPPARGPPARAPPARD
SCHEMBL7879558 0.75 KDM4E (0.56) HRH3KDM4EPPARGPPARAPPARD
SCHEMBL7876023 0.75 KDM4E (0.50) HRH3KDM4EPPARGPPARAPPARD

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