SCHEMBL7022984

SCHEMBL7022984

COC(=O)Cc1occ2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
KDM4E B2RXH2 3/20 0.42
EGFR P00533 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 3/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
ACACA Q13085 1/20 0.40
ALDH1A1 P00352 2/20 0.39
ATM Q13315 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
USP2 O75604 1/20 0.38
APOBEC3A P31941 1/20 0.38
KEAP1 Q14145 1/20 0.38

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
SCHEMBL28834516 0.81 KDM4E (0.39) CYP1A2CYP2C19KDM4EL3MBTL1TDP1
SCHEMBL10370767 0.81 KDM4E (0.41) CYP1A2CYP2C19KDM4EL3MBTL1TDP1
SCHEMBL1650809 0.80 KDM4E (0.50) KDM4ETDP1HPGDALDH1A1HSD17B10
SCHEMBL1260300 0.78 KDM4E (0.39) CYP1A2CYP2C19KDM4EL3MBTL1TDP1
SCHEMBL11116972 0.78 KDM4E (0.39) CYP1A2CYP2C19KDM4EL3MBTL1TDP1
SCHEMBL3147406 0.78 KDM4E (0.39) SMN1; SMN2CYP2C19KDM4ETDP1HPGD
SCHEMBL27610645 0.78 ACP3 (0.34) SMN1; SMN2CYP1A2KDM4EL3MBTL1TDP1
SCHEMBL7135689 0.76 KDM4E (0.42) SMN1; SMN2CYP1A2CYP2C19KDM4EL3MBTL1
SCHEMBL7279171 0.76 KMT2A (0.45) SMN1; SMN2KDM4EMAPTHPGDALDH1A1
SCHEMBL2090282 0.74 MAPT (0.33) SMN1; SMN2KDM4ETDP1MAPTHPGD

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 11 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
US-5849788-A Compound for treatment of cardiac arphythmia, synthesis, and methods of use ARYX THERAPEUTICS (US) 1998-12-15 US disclosed
EP-0703910-B1 BENZOYLBENZOFURANE DERIVATIVES FOR TREATMENT OF CARDIAC ARRHYTHMIA ARYX THERAPEUTICS (US) 1998-01-07 EP disclosed
EP-0703910-A1 BENZOYLBENZOFURANE DERIVATIVES FOR TREATMENT OF CARDIAC ARRHYTHMIA Advanced Therapies, Inc. (US) 1996-04-03 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
WO-1994029289-A1 BENZOYLBENZOFURANE DERIVATIVES FOR TREATMENT OF CARDIAC ARRHYTHMIA ADVANCED THERAPIES, INC. (US) 1994-12-22 WO disclosed
US-5364880-A Compound for treatment of cardiac arrhythmia, synthesis, and methods of use ADVANCED THERAPIES, INC. (US) 1994-11-15 US disclosed