SCHEMBL16620131

SCHEMBL16620131

NCCOCCOCCNC(=O)c1ccc2nc([N+]3(C(=O)c4ccc5nc(-c6ccccc6)[nH]c5c4)CCC(C4CCNCC4)CC3)sc2c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALB P02768 1/20 0.48
SCD O00767 1/20 0.40
CHEK2 O96017 4/20 0.39
HDAC6 Q9UBN7 3/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
FLT3 P36888 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38

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
SCHEMBL16619475 0.79 HDAC6 (0.58) ALBCHEK2HDAC6HDAC3HDAC1
SCHEMBL16619938 0.79 ALB (0.58) ALBCHEK2
SCHEMBL16619766 0.74 ALB (0.67) ALBCHEK2
SCHEMBL16630761 0.71 ALB (0.86) ALBSCDCHEK2HDAC6HDAC3
SCHEMBL16619144 0.71 ALB (0.61) ALBSCDCHEK2HDAC6HDAC3
SCHEMBL16619698 0.70 ALB (0.54) ALBSCDCHEK2
SCHEMBL16619335 0.69 ALB (0.62) ALBHDAC6HDAC3HDAC1HDAC8
SCHEMBL16630759 0.66 ALB (0.78) ALBSCDCHEK2HDAC6HDAC3
SCHEMBL16619809 0.66 ALB (0.71) ALBSCDCHEK2FLT3
SCHEMBL20982580 0.65 HDAC6 (0.62) CHEK2HDAC6HDAC3HDAC1HDAC8

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-3052483-A1 COMPOUNDS FOR AFFINITY CHROMATOGRAPHY AND FOR EXTENDING THE HALF-LIFE OF A THERAPEUTIC AGENT GlaxoSmithKline Intellectual Property Development Limited (GB) 2016-08-10 EP disclosed
WO-2015049651-A1 COMPOUNDS FOR AFFINITY CHROMATOGRAPHY AND FOR EXTENDING THE HALF-LIFE OF A THERAPEUTIC AGENT GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-04-09 WO disclosed