SCHEMBL9630438

SCHEMBL9630438

O=C(CN1CCOCC1)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CN3CCOCC3)cc1C2=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.64
HTT P42858 1/20 0.64
MEN1 O00255 1/20 0.63
POLB P06746 1/20 0.63
KMT2A Q03164 1/20 0.63
GAA P10253 1/20 0.63
NPSR1 Q6W5P4 1/20 0.63
MAPK1 P28482 1/20 0.63
ATM Q13315 1/20 0.63
LMNA P02545 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
HPGD P15428 1/20 0.61
ALOX15 P16050 1/20 0.61
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
CA9 Q16790 1/20 0.61
KDM4E B2RXH2 1/20 0.60
TERT O14746 2/20 0.59
L3MBTL1 Q9Y468 1/20 0.58
HRH3 Q9Y5N1 1/20 0.57

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
SCHEMBL9629545 0.96 SMN1; SMN2 (0.65) ALDH1A1HTTMEN1POLBKMT2A
SCHEMBL4297878 0.87 TERT (0.75) ALDH1A1HTTMEN1POLBKMT2A
SCHEMBL9630665 0.87 TERT (0.79) ALDH1A1HTTATMLMNAHPGD
SCHEMBL4299285 0.86 TERT (0.76) ALDH1A1POLBGAASMN1; SMN2HPGD
SCHEMBL9630688 0.84 TERT (0.74) ALDH1A1MEN1POLBKMT2AGAA
SCHEMBL4289287 0.84 TERT (0.74) ALDH1A1MEN1POLBKMT2AGAA
SCHEMBL4291737 0.84 TERT (0.59) ALDH1A1TERT
SCHEMBL9921691 0.79 ATM (0.76) ALDH1A1HTTATMLMNASMN1; SMN2
SCHEMBL11732314 0.77 TERT (0.78) ALDH1A1HTTMEN1POLBKMT2A
SCHEMBL13597049 0.77 ALDH1A1 (0.77) ALDH1A1HTTMEN1POLBKMT2A

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
EP-0482119-A1 INTERCALATING AGENTS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1992-04-29 EP claimed
WO-1991000265-A1 INTERCALATING AGENTS CANCER RESEARCH TECHNOLOGY LTD. (GB) 1991-01-10 WO claimed