SCHEMBL22692170

SCHEMBL22692170

CN(CC(=O)C=O)C(=O)CCCCC1SCC2NC(=O)NC21

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 4/20 0.61
▸ MEN1 O00255 1/20 0.61
▸ ABL1 P00519 1/20 0.61
▸ LMNA P02545 1/20 0.61
▸ PKM P14618 1/20 0.61
▸ IDE P14735 1/20 0.61
▸ MAPK1 P28482 1/20 0.61
▸ KMT2A Q03164 1/20 0.61
▸ RIN1 Q13671 1/20 0.61
▸ L3MBTL1 Q9Y468 1/20 0.61
▸ HLCS P50747 6/20 0.55
▸ CA12 O43570 9/20 0.51
▸ CA1 P00915 9/20 0.51
▸ CA2 P00918 9/20 0.51
▸ CA9 Q16790 9/20 0.51

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
SCHEMBL1726093 0.87 TDP1 (0.73) TDP1MEN1ABL1LMNAPKM
SCHEMBL13790965 0.87 TDP1 (0.65) TDP1MEN1ABL1LMNAPKM
SCHEMBL22692175 0.86 TDP1 (0.73) TDP1MEN1ABL1LMNAPKM
SCHEMBL14572650 0.85 TDP1 (0.64) TDP1MEN1ABL1LMNAPKM
SCHEMBL13857683 0.85 TDP1 (0.71) TDP1MEN1ABL1LMNAPKM
SCHEMBL13802847 0.84 TDP1 (0.63) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL4282638 0.81 TDP1 (0.81) TDP1MEN1ABL1LMNAPKM
SCHEMBL15123570 0.80 TDP1 (0.76) TDP1MEN1ABL1LMNAPKM
SCHEMBL8126600 0.80 TDP1 (0.63) TDP1MEN1ABL1LMNAPKM
SCHEMBL6036972 0.80 TDP1 (0.76) TDP1MEN1ABL1LMNAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114269332-A Compositions and methods relating to tethered ethoxydihydroxybutanone derivatives 芝加哥大学 2022-04-01 — — CN claimed
EP-3972576-A1 COMPOSITIONS AND METHODS RELATED TO TETHERED KETHOXAL DERIVATIVES The University of Chicago (US) 2022-03-30 — — EP claimed
WO-2020237262-A1 COMPOSITIONS AND METHODS RELATED TO TETHERED KETHOXAL DERIVATIVES THE UNIVERSITY OF CHICAGO (US) 2020-11-26 — — WO claimed
CN-114269332-A Compositions and methods relating to tethered ethoxydihydroxybutanone derivatives 芝加哥大学 2022-04-01 — — CN disclosed
EP-3972576-A1 COMPOSITIONS AND METHODS RELATED TO TETHERED KETHOXAL DERIVATIVES The University of Chicago (US) 2022-03-30 — — EP disclosed
WO-2020237262-A1 COMPOSITIONS AND METHODS RELATED TO TETHERED KETHOXAL DERIVATIVES THE UNIVERSITY OF CHICAGO (US) 2020-11-26 — — WO disclosed
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