SCHEMBL6965415

SCHEMBL6965415

COc1cccc(CCN2C(=O)c3ccccc3C2=O)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.67
NR1H3 Q13133 1/20 0.67
SIGMAR1 Q99720 2/20 0.59
HEXA P06865 1/20 0.58
HEXB P07686 1/20 0.58
ALDH1A1 P00352 3/20 0.58
HPGD P15428 2/20 0.58
KDM4E B2RXH2 2/20 0.58
MAPT P10636 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
PARK7 Q99497 1/20 0.58
MEN1 O00255 1/20 0.58
POLB P06746 1/20 0.58
MAPK1 P28482 1/20 0.58
KMT2A Q03164 1/20 0.58
ATM Q13315 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
CASP3 P42574 1/20 0.56
CMA1 P23946 1/20 0.56
HTR1A P08908 4/20 0.56

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
SCHEMBL8801774 0.93 NR1H2 (0.62) NR1H2NR1H3SIGMAR1HEXAHEXB
SCHEMBL12431372 0.90 HEXA (0.60) NR1H2NR1H3SIGMAR1HEXAHEXB
SCHEMBL18669155 0.86 KMT2A (0.75) NR1H2NR1H3SIGMAR1ALDH1A1HPGD
SCHEMBL6949731 0.85 PARK7 (0.70) NR1H2NR1H3ALDH1A1HPGDKDM4E
SCHEMBL7886525 0.85 RAB9A (0.57) NR1H2NR1H3ALDH1A1HPGDKDM4E
SCHEMBL14524630 0.85 HEXA (0.56) NR1H2NR1H3SIGMAR1HEXAHEXB
SCHEMBL30758623 0.84 RAB9A (0.68) NR1H3ALDH1A1CASP3RAB9AGAA
SCHEMBL29168851 0.84 RAB9A (0.68) NR1H3ALDH1A1CASP3RAB9AGAA
SCHEMBL4172046 0.82 NR1H3 (0.55) NR1H2NR1H3SIGMAR1HEXAHEXB
SCHEMBL4172051 0.82 NR1H3 (0.55) NR1H2NR1H3SIGMAR1HEXAHEXB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017049409-A1 COMPOSITIONS FOR PROMOTING READTHROUGH OF PREMATURE TERMINATION CODONS, AND METHODS OF USING THE SAME THE CENTRE FOR DRUG RESEARCH AND DEVELOPMENT (CA) 2017-03-30 WO disclosed
WO-2017049409-A1 COMPOSITIONS FOR PROMOTING READTHROUGH OF PREMATURE TERMINATION CODONS, AND METHODS OF USING THE SAME THE CENTRE FOR DRUG RESEARCH AND DEVELOPMENT (CA) 2017-03-30 WO disclosed
EP-1064262-B1 SUBSTITUTED ISOINDOLONES AND THEIR USE AS CYCLIC GMP MODULATORS IN MEDICAMENTS AVENTIS PHARMA GMBH (DE) 2003-02-12 EP disclosed
US-6344468-B1 CARDIOVASCULAR DISEASES SUCH AS HYPERTENSION, ANGINA PECTORIS, CARDIAC INSUFFICIENCY, THROMBOSES OR ATHEROSCLEROSIS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-02-05 US disclosed
US-6172091-B1 METABOLIC CALCIUM IMBALANCE AND OSTEOPOROSIS ORTHO-MCNEIL PHARMACEUTICAL, INC. 2001-01-09 US disclosed
EP-1064262-A1 SUBSTITUTED ISOINDOLONES AND THEIR USE AS CYCLIC GMP MODULATORS IN MEDICAMENTS Aventis Pharma Deutschland GmbH (DE) 2001-01-03 EP disclosed
WO-1999042444-A1 SUBSTITUTED ISOINDOLONES AND THEIR USE AS CYCLIC GMP MODULATORS IN MEDICAMENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 1999-08-26 WO disclosed