SCHEMBL8701507

SCHEMBL8701507

CCCCN(CCCC)CCC(=O)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CCN(CCCC)CCCC)cc1C2=O

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 14/20 0.78
PTPRC P08575 2/20 0.60
ALDH1A1 P00352 2/20 0.57
MEN1 O00255 1/20 0.57
NPC1 O15118 1/20 0.57
CYP1A2 P05177 1/20 0.57
POLB P06746 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
MAPT P10636 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
RAB9A P51151 1/20 0.57
KMT2A Q03164 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
ICMT O60725 1/20 0.56
ALB P02768 1/20 0.56
KDM4E B2RXH2 1/20 0.55
HPGD P15428 1/20 0.55
ALOX12 P18054 1/20 0.55

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
SCHEMBL8700770 0.92 TERT (0.82) TERTPTPRCALDH1A1MEN1NPC1
SCHEMBL9630529 0.88 TERT (1.00) TERTPTPRCALDH1A1MEN1NPC1
SCHEMBL4303627 0.88 TERT (1.00) TERTPTPRCALDH1A1MEN1NPC1
SCHEMBL8705890 0.85 TERT (0.75) TERT
SCHEMBL8701369 0.83 TERT (0.85) TERTPTPRCALDH1A1MEN1NPC1
SCHEMBL4298269 0.83 PTPRC (0.83) TERTPTPRCALDH1A1MEN1NPC1
SCHEMBL4293124 0.82 TERT (1.00) TERTPTPRCALDH1A1MEN1NPC1
SCHEMBL8700991 0.82 TERT (1.00) TERTPTPRCALDH1A1MEN1NPC1
SCHEMBL4289808 0.80 PTPRC (0.61) TERTPTPRCALDH1A1MEN1NPC1
SCHEMBL9312233 0.80 PTPRC (0.73) TERTPTPRCALDH1A1MEN1NPC1

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 1 patent. 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 disclosed