SCHEMBL8715813

SCHEMBL8715813

CCCN(CCC)CCC(=O)Nc1ccc(NC(=O)CCN(CCC)CCC)c2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.97

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TERT O14746 15/20 0.97
MEN1 O00255 1/20 0.67
ALDH1A1 P00352 1/20 0.67
POLB P06746 1/20 0.67
GAA P10253 1/20 0.67
MAPT P10636 1/20 0.67
DNMT1 P26358 1/20 0.67
RAD52 P43351 1/20 0.67
SMARCA2 P51531 1/20 0.67
KMT2A Q03164 1/20 0.67
ITGB2 P05107 1/20 0.48
ICAM1 P05362 1/20 0.48
ITGAL P20701 1/20 0.48
PTPRC P08575 1/20 0.48
PTPN13 Q12923 1/20 0.48
ICMT O60725 1/20 0.48
ALB P02768 1/20 0.48

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
SCHEMBL8707585 0.92 TERT (0.83) TERTMEN1ALDH1A1POLBGAA
SCHEMBL6367252 0.90 MEN1 (0.81) TERTMEN1ALDH1A1POLBGAA
SCHEMBL8706949 0.86 TERT (0.78) TERTMEN1ALDH1A1POLBGAA
SCHEMBL12110764 0.85 TERT (0.83) TERTMEN1ALDH1A1POLBGAA
SCHEMBL3275804 0.85 MEN1 (0.72) TERTMEN1ALDH1A1POLBGAA
SCHEMBL16887361 0.81 TERT (0.66) TERTMEN1ALDH1A1POLBGAA
SCHEMBL15603987 0.81 TERT (0.66) TERTMEN1ALDH1A1POLBGAA
SCHEMBL8710224 0.80 TERT (1.00) TERTMEN1ALDH1A1POLBGAA
SCHEMBL6366577 0.79 TERT (0.64) TERTMEN1ALDH1A1POLBGAA
SCHEMBL11143641 0.78 TERT (0.63) TERTMEN1ALDH1A1POLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998025885-A1 ANTHRAQUINONES WITH BIOLOGICAL ACTIVITY CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1998-06-18 WO claimed
WO-1998025885-A1 ANTHRAQUINONES WITH BIOLOGICAL ACTIVITY CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1998-06-18 WO disclosed