SCHEMBL8777049

SCHEMBL8777049

COc1ccc(CCN2C(=O)c3ccccc3C2=O)cc1OC

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.72
NR1H3 Q13133 2/20 0.67
HSP90AA1 P07900 1/20 0.67
NR1H2 P55055 1/20 0.67
ALDH1A1 P00352 4/20 0.65
HTT P42858 3/20 0.60
SMN1; SMN2 Q16637 3/20 0.59
MAPT P10636 2/20 0.59
NPSR1 Q6W5P4 1/20 0.58
MAPK1 P28482 5/20 0.58
HPGD P15428 2/20 0.58
KDM4E B2RXH2 1/20 0.58

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
SCHEMBL11743353 0.92 ALDH1A1 (0.69) LMNANR1H3HSP90AA1NR1H2ALDH1A1
SCHEMBL9053567 0.89 ALDH1A1 (0.67) LMNANR1H3HSP90AA1NR1H2ALDH1A1
SCHEMBL3193194 0.87 LMNA (0.57) LMNANR1H3HSP90AA1NR1H2ALDH1A1
SCHEMBL8828667 0.86 ABCB1 (0.69) LMNANR1H3NR1H2ALDH1A1
SCHEMBL4854039 0.85 NR1H3 (0.62) LMNANR1H3NR1H2ALDH1A1HTT
SCHEMBL2593843 0.85 ALDH1A1 (0.64) LMNANR1H3HSP90AA1NR1H2ALDH1A1
SCHEMBL476943 0.83 KMT2A (0.76) LMNANR1H3NR1H2ALDH1A1SMN1; SMN2
SCHEMBL15693967 0.82 ALDH1A1 (0.59) LMNANR1H3NR1H2ALDH1A1SMN1; SMN2
SCHEMBL11635816 0.82 PARK7 (0.59) LMNAHSP90AA1ALDH1A1HTTSMN1; SMN2
SCHEMBL10669409 0.82 NR1H3 (0.53) LMNANR1H3HSP90AA1NR1H2ALDH1A1

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
JP-61140547-A None JP 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
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-0800514-A1 SUBSTITUTED IMIDES AS TNF INHIBITORS CELGENE CORPORATION (US) 1997-10-15 EP disclosed
WO-1996020926-A9 SUBSTITUTED IMIDES AS TNF INHIBITORS 1996-09-26 WO disclosed
WO-1996020926-A1 SUBSTITUTED IMIDES AS TNF INHIBITORS CELGENE CORPORATION (US) 1996-07-11 WO disclosed
JP-S61140547-A PHENETHYLAMINE DERIVATIVE AND DIAGNOSTIC METABOLIC ACTIVATOR SEITAI KAGAKU KENKYUSHO:KK 1986-06-27 JP disclosed
US-4128650-A Dibenzo[de, h]quinoline derivatives RHONE-POULENC INDUSTRIES (FR) 1978-12-05 US disclosed