SCHEMBL8705374

SCHEMBL8705374

O=C(CN(CCO)CCO)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CN(CCO)CCO)cc1C2=O

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TERT O14746 16/20 0.60
MEN1 O00255 1/20 0.55
NPC1 O15118 1/20 0.55
ALDH1A1 P00352 1/20 0.55
CYP1A2 P05177 1/20 0.55
POLB P06746 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
MAPT P10636 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
RAB9A P51151 1/20 0.55
KMT2A Q03164 1/20 0.55
SMN1; SMN2 Q16637 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
SCHEMBL8705890 0.87 TERT (0.75) TERT
SCHEMBL9630800 0.84 TERT (0.74) TERTMEN1NPC1ALDH1A1CYP1A2
SCHEMBL4305307 0.84 TERT (0.74) TERTMEN1NPC1ALDH1A1CYP1A2
SCHEMBL8701369 0.82 TERT (0.85) TERTMEN1NPC1ALDH1A1CYP1A2
SCHEMBL4291524 0.80 TERT (0.73) TERTMEN1NPC1ALDH1A1CYP1A2
SCHEMBL10918228 0.76 CYP1A1 (0.50) MEN1ALDH1A1CYP3A4MAPTKMT2A
SCHEMBL4303627 0.75 TERT (1.00) TERTMEN1NPC1ALDH1A1CYP1A2
SCHEMBL9630529 0.75 TERT (1.00) TERTMEN1NPC1ALDH1A1CYP1A2
SCHEMBL4293124 0.75 TERT (1.00) TERTMEN1NPC1ALDH1A1CYP1A2
SCHEMBL8700991 0.75 TERT (1.00) TERTMEN1NPC1ALDH1A1CYP1A2

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