SCHEMBL8958855

SCHEMBL8958855

NC(=O)C(CCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.62
MEN1 O00255 1/20 0.62
ABL1 P00519 1/20 0.62
LMNA P02545 1/20 0.62
PKM P14618 1/20 0.62
IDE P14735 1/20 0.62
MAPK1 P28482 1/20 0.62
KMT2A Q03164 1/20 0.62
RIN1 Q13671 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
HLCS P50747 6/20 0.58
CA12 O43570 7/20 0.46
CA1 P00915 7/20 0.46
CA2 P00918 7/20 0.46
CA9 Q16790 7/20 0.46

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
SCHEMBL487045 0.92 TDP1 (0.68) TDP1MEN1ABL1LMNAPKM
SCHEMBL5498960 0.88 TDP1 (0.60) TDP1MEN1ABL1LMNAPKM
SCHEMBL6838821 0.87 TDP1 (0.62) TDP1MEN1ABL1LMNAPKM
Iodide SCHEMBL2533594 0.86 TDP1 (0.61) TDP1MEN1ABL1LMNAPKM
SCHEMBL629531 0.86 TDP1 (0.74) TDP1MEN1ABL1LMNAPKM
SCHEMBL29460479 0.85 TDP1 (0.60) TDP1MEN1ABL1LMNAPKM
SCHEMBL425273 0.85 TDP1 (0.67) TDP1MEN1ABL1LMNAPKM
SCHEMBL8508662 0.85 TDP1 (0.60) TDP1MEN1ABL1LMNAPKM
SCHEMBL2182339 0.85 TDP1 (0.60) TDP1MEN1ABL1LMNAPKM
SCHEMBL4464825 0.85 TDP1 (0.60) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0691981-A1 TUMOR TARGETING WITH L-ENANTIOMERIC OLIGONUCLEOTIDE CONJUGATES OF IMMUNOREAGENTS AND OF CHELATED RADIONUCLIDES THE WELLCOME FOUNDATION LIMITED (GB) 1996-01-17 EP disclosed
WO-1994020523-A1 TUMOR TARGETING WITH L-ENANTIOMERIC OLIGONUCLEOTIDE CONJUGATES OF IMMUNOREAGENTS AND OF CHELATED RADIONUCLIDES THE WELLCOME FOUNDATION LIMITED (GB) 1994-09-15 WO disclosed