SCHEMBL28085620

SCHEMBL28085620

O=C1N[C@H]2[C@H](CS[C@H]2CCCCC(=O)On2ccc(=O)[nH]c2=O)N1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.60
PKM P14618 2/20 0.56
MEN1 O00255 1/20 0.56
ABL1 P00519 1/20 0.56
LMNA P02545 1/20 0.56
IDE P14735 1/20 0.56
MAPK1 P28482 1/20 0.56
KMT2A Q03164 1/20 0.56
RIN1 Q13671 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
CA12 O43570 5/20 0.49
CA1 P00915 5/20 0.49
CA2 P00918 5/20 0.49
CA9 Q16790 5/20 0.49
HLCS P50747 6/20 0.49
HPSE Q9Y251 1/20 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
SCHEMBL17371928 0.82 TDP1 (0.59) TDP1PKMMEN1ABL1LMNA
SCHEMBL16141162 0.81 TDP1 (0.59) TDP1PKMMEN1ABL1LMNA
SCHEMBL2808581 0.79 F2 (0.51) TDP1PKMMEN1ABL1LMNA
SCHEMBL22290232 0.79 TDP1 (0.82) TDP1PKMMEN1ABL1LMNA
SCHEMBL20887815 0.79 TDP1 (0.67) TDP1PKMMEN1ABL1LMNA
SCHEMBL21176811 0.78 TDP1 (0.81) TDP1PKMMEN1ABL1LMNA
SCHEMBL28119479 0.78 TDP1 (0.81) TDP1PKMMEN1ABL1LMNA
SCHEMBL28283183 0.78 TDP1 (0.81) TDP1PKMMEN1ABL1LMNA
SCHEMBL21114407 0.78 TDP1 (0.81) TDP1PKMMEN1ABL1LMNA
SCHEMBL24131520 0.78 TDP1 (0.69) TDP1PKMMEN1ABL1LMNA

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
CN-103314114-B Epigenetic markers for colorectal cancer and diagnostic methods using the same 临床基因组学股份有限公司 2016-08-10 CN disclosed