SCHEMBL5075016

SCHEMBL5075016

CCCCC(C(=O)ONC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)N1C(=O)CC(S(=O)(=O)O)C1=O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.47
CA12 O43570 8/20 0.45
CA1 P00915 8/20 0.45
CA2 P00918 8/20 0.45
CA9 Q16790 8/20 0.45
HLCS P50747 2/20 0.44
CNR1 P21554 2/20 0.43
MEN1 O00255 1/20 0.42
ABL1 P00519 1/20 0.42
LMNA P02545 1/20 0.42
PKM P14618 1/20 0.42
IDE P14735 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
RIN1 Q13671 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CNR2 P34972 2/20 0.42

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
SCHEMBL8428342 0.82 TDP1 (0.49) TDP1CA12CA1CA2CA9
SCHEMBL4153459 0.80 TDP1 (0.48) TDP1CA12CA1CA2CA9
SCHEMBL4522069 0.78 TDP1 (0.52) TDP1CA12CA1CA2CA9
SCHEMBL244669 0.77 TDP1 (0.49) TDP1CA12CA1CA2CA9
SCHEMBL1639628 0.75 TDP1 (0.49) TDP1CA12CA1CA2CA9
SCHEMBL17114632 0.75 TDP1 (0.70) TDP1CA12CA1CA2CA9
Biotin SCHEMBL2192463 0.74 TDP1 (0.60) TDP1CA12CA1CA2CA9
SCHEMBL5789780 0.74 TDP1 (0.51) TDP1CA12CA1CA2CA9
SCHEMBL4566720 0.74 HLCS (0.45) TDP1CA12CA1CA2CA9
SCHEMBL29613855 0.73 TDP1 (0.57) TDP1CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1940444-A2 METHODS OF PREPARING TARGETED IMMUNOLIPOSOMES Centocor, Inc. (US) 2008-07-09 EP disclosed
WO-2007048121-A2 METHODS OF PREPARING TARGETED IMMUNOLIPOSOMES CENTOCOR, INC. (US) 2007-04-26 WO disclosed
EP-0990142-A4 MULTIPLEXED MOLECULAR ANALYSIS APPARATUS AND METHOD GENOMETRIX GENOMICS INC (US) 2000-09-27 EP disclosed
EP-0990142-A1 MULTIPLEXED MOLECULAR ANALYSIS APPARATUS AND METHOD Genometrix Incorporated (US) 2000-04-05 EP disclosed
EP-0914471-A2 METHOD FOR DISSOCIATING BIOTIN COMPLEXES SEQUENOM, INC. (US) 1999-05-12 EP disclosed
WO-1998029736-A1 MULTIPLEXED MOLECULAR ANALYSIS APPARATUS AND METHOD GENOMETRIX INCORPORATED (US) 1998-07-09 WO disclosed
WO-1997043617-A2 METHOD FOR DISSOCIATING BIOTIN COMPLEXES SEQUENOM, INC. (US) 1997-11-20 WO disclosed