SCHEMBL7028102

SCHEMBL7028102

CCN(CC)CCOc1c(I)cc(C(=O)c2c(CC(=O)OC)oc3ccccc23)cc1I

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT3 Q9NTG7 7/20 0.75
KDM5A P29375 7/20 0.75
THRA P10827 3/20 0.75
THRB P10828 3/20 0.75
ALDH1A1 P00352 2/20 0.75
TP53 P04637 2/20 0.75
CYP3A4 P08684 2/20 0.75
SMN1; SMN2 Q16637 2/20 0.75
TDP1 Q9NUW8 2/20 0.75
ABCB1 P08183 2/20 0.75
KDM7A Q6ZMT4 2/20 0.75
MLNR O43193 1/20 0.75
CACNA1F O60840 1/20 0.75
PHF2 O75151 1/20 0.75
ABCB11 O95342 1/20 0.75
NR3C1 P04150 1/20 0.75
ERBB2 P04626 1/20 0.75
CYP1A2 P05177 1/20 0.75
FYN P06241 1/20 0.75
CHRM2 P08172 1/20 0.75

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
SCHEMBL4710390 0.91 KDM5A (0.78) SIRT3KDM5ATHRATHRBALDH1A1
SCHEMBL16058797 0.89 SIRT3 (0.79) SIRT3KDM5ATHRATHRBALDH1A1
Budiodarone SCHEMBL1946426 0.89 SIRT3 (0.70) SIRT3KDM5ATHRATHRBALDH1A1
SCHEMBL14192201 0.89 SIRT3 (0.70) SIRT3KDM5ATHRATHRBALDH1A1
Budiodarone SCHEMBL29380098 0.89 SIRT3 (0.70) SIRT3KDM5ATHRATHRBALDH1A1
SCHEMBL14192200 0.89 SIRT3 (0.70) SIRT3KDM5ATHRATHRBALDH1A1
Budiodarone SCHEMBL1946428 0.89 SIRT3 (0.70) SIRT3KDM5ATHRATHRBALDH1A1
Budiodarone SCHEMBL3123242 0.89 SIRT3 (0.70) SIRT3KDM5ATHRATHRBALDH1A1
Amiodarone SCHEMBL12487240 0.86 SIRT3 (1.00) SIRT3KDM5ATHRATHRBALDH1A1
SCHEMBL13654918 0.86 SIRT3 (0.77) SIRT3KDM5ATHRATHRBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002038557-A9 BENZOYLBENZOFURANE DERIVATIVES FOR TREATMENT OF CARDIAC ARRHYTHMIA ARYX THERAPEUTICS (US) 2003-09-18 WO disclosed
EP-1322630-A2 BENZOYLBENZOFURANE DERIVATIVES FOR TREATMENT OF CARDIAC ARRHYTHMIA Aryx Therapeutics (US) 2003-07-02 EP disclosed
WO-2002038557-A2 BENZOYLBENZOFURANE DERIVATIVES FOR TREATMENT OF CARDIAC ARRHYTHMIA ARYX THERAPEUTICS (US) 2002-05-16 WO disclosed
US-6316487-B1 FOR THERAPY OF VENTRICULAR TACHYARRHYTHMIAS, ESPECIALLY IN PATIENTS WITH CONGESTIVE HEART FAILURE AND VENTRICULAR ARRHYTHMIAS AND SUPRAVENTRICULAR ARRHYTHMIAS, INCLUDING ATRIAL FIBRILLATION AND RE-ENTRANT TACHYARRHYTHMIAS ARYX THERAPEUTICS 2001-11-13 US disclosed
US-6130240-A Compound for treatment of cardiac arrhythmia, synthesis, and methods of use ARYX THERAPEUTICS, INC. (US) 2000-10-10 US disclosed
EP-0703910-B1 BENZOYLBENZOFURANE DERIVATIVES FOR TREATMENT OF CARDIAC ARRHYTHMIA ARYX THERAPEUTICS (US) 1998-01-07 EP disclosed
US-5440054-A Compound for treatment of cardiac arrhythmia, synthesis, and methods of use ADVANCED THERAPIES, INC. (US) 1995-08-08 US disclosed
US-5364880-A Compound for treatment of cardiac arrhythmia, synthesis, and methods of use ADVANCED THERAPIES, INC. (US) 1994-11-15 US disclosed