SCHEMBL5694464

SCHEMBL5694464

O=C1N=NOC1=O

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL50138 0.81
SCHEMBL5382199 0.69
SCHEMBL50281 0.65
SCHEMBL6974171 0.65
SCHEMBL22100500 0.45
SCHEMBL486887 0.41
SCHEMBL10864224 0.41
SCHEMBL8625019 0.41
SCHEMBL3092227 0.36
SCHEMBL29525891 0.35 KDM4E (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100540537-C GFAT inhibitors HOFFMANN LA ROCHE (CH) 2009-09-16 CN disclosed
CN-1882329-A 4-(1-benzofuran-3-yl-methylideneaminoxy.propoxy))-benzoic acid derivatives and related compounds as PAI-1 inhibitors for the treatment of impairment of the fibrinolytic system and of thrombosis WYETH CORP (US) 2006-12-20 CN disclosed
US-7141592-B2 Substituted oxadiazolidinediones WYETH (US) 2006-11-28 US disclosed
EP-1680107-A1 SUBSTITUTED OXADIAZOLIDINEDIONES ALS PAI-1 INHIBITORS Wyeth (US) 2006-07-19 EP disclosed
US-7067529-B2 Glutamine fructose-y-phosphate amidotransferase (GFAT) inhibitors HOFFMANN-LA ROCHE INC. (US) 2006-06-27 US disclosed
CN-1791581-A Glutamine fructose-y-phosphate amidotransferase (GFAT) inhibitors HOFFMANN LA ROCHE (CH) 2006-06-21 CN disclosed
EP-1667676-A1 4-(1-BENZOFURAN-3-YL-METHYLIDENEAMINOXY-PROPOXY)-BENZOIC ACID DERIVATIVES AND RELATED COMPOUNDS AS PAI-1 INHIBITORS FOR THE TREATMENT OF IMPAIREMENT OF THE FIBRINOLYTIC SYSTEM AND OF THROMBISIS Wyeth (US) 2006-06-14 EP disclosed
EP-1631551-A2 ISOQUINOLINE DERIVATIVES AND THEIR USE AS GFAT INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-08 EP disclosed
US-20050215626-A1 Substituted benzofuran oximes; inhibiting PAI-1 activity; Plasminogen Activator Inhibitor (PAI); treating thrombosis, pulmonary fibrosis, stroke, myocardial ischemia, cardiovascular disease, chronic obstructive pulmonary disease, diabetes, Alzheimer's disease, renal fibrosis, or cancer WYETH (US) 2005-09-29 US disclosed
US-20050113428-A1 Substituted oxadiazolidinediones WYETH (US) 2005-05-26 US disclosed
WO-2005030199-A1 4-(1-BENZOFURAN-3-YL-METHYLIDENEAMINOXY.PROPOXY))-BENZOIC ACID DERIVATIVES AND RELATED COMPOUNDS AS PAI-1 INHIBITORS FOR THE TREATMENT OF IMPAIRMENT OF THE FIBRINOLYTIC SYSTEM AND OF THROMBOSIS WYETH (US) 2005-04-07 WO disclosed
WO-2005030203-A1 SUBSTITUTED OXADIAZOLIDINEDIONES ALS PAI-1 INHIBITORS WYETH (US) 2005-04-07 WO disclosed
US-20040259910-A1 Glutamine fructose-y-phosphate amidotransferase (GFAT) inhibitors BOLIN DAVID ROBERT (US) 2004-12-23 US disclosed
WO-2004101528-A2 ISOQUINOLINE DERIVATIVES AND THEIR USE AS GFAT INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-25 WO disclosed
EP-0934935-A1 Heterocyclic substituted phenyl compounds, process and intermediates for their preparation and their use as fungicides and pesticides BASF AKTIENGESELLSCHAFT (DE) 1999-08-11 EP disclosed
WO-1999020615-A2 PESTICIDE SUBSTITUTED PHENYL CARBAMATES, METHODS AND INTERMEDIATE PRODUCTS FOR PRODUCING THEM, AND USE OF THE SAME BASF AKTIENGESELLSCHAFT (DE) 1999-04-29 WO disclosed