SCHEMBL15020063

SCHEMBL15020063

O=C1N[C@H]2[C@H](CS[C@H]2CCCC(C(=O)O)C(=O)CCCCCN2C(=O)C=CC2=O)N1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.54
MEN1 O00255 1/20 0.54
ABL1 P00519 1/20 0.54
LMNA P02545 1/20 0.54
PKM P14618 1/20 0.54
IDE P14735 1/20 0.54
MAPK1 P28482 1/20 0.54
KMT2A Q03164 1/20 0.54
RIN1 Q13671 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
HLCS P50747 6/20 0.47
CA12 O43570 5/20 0.42
CA1 P00915 5/20 0.42
CA2 P00918 5/20 0.42
CA9 Q16790 5/20 0.42
PTPRF P10586 1/20 0.41
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41

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
SCHEMBL8988137 0.93 TDP1 (0.54) TDP1MEN1ABL1LMNAPKM
SCHEMBL29375721 0.87 TDP1 (0.70) TDP1MEN1ABL1LMNAPKM
SCHEMBL2350071 0.84 TDP1 (0.60) TDP1MEN1ABL1LMNAPKM
SCHEMBL15020036 0.83 HLCS (0.65) TDP1MEN1ABL1LMNAPKM
SCHEMBL24478500 0.82 TDP1 (0.58) TDP1MEN1ABL1LMNAPKM
SCHEMBL565573 0.82 TDP1 (0.58) TDP1MEN1ABL1LMNAPKM
SCHEMBL24478502 0.82 TDP1 (0.58) TDP1MEN1ABL1LMNAPKM
SCHEMBL13254786 0.82 TDP1 (0.58) TDP1MEN1ABL1LMNAPKM
SCHEMBL1271190 0.81 TDP1 (0.65) TDP1MEN1ABL1LMNAPKM
SCHEMBL9841668 0.81 HLCS (0.65) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013087789-A1 ANTIBODY ISOFORM ARRAYS AND METHODS THEREOF GLYKOS FINLAND LTD. (FI) 2013-06-20 WO disclosed