SCHEMBL20707604

SCHEMBL20707604

N=C(NCOCCOCCN)c1cccc(NC(=O)OC2CCN(C(=O)c3ccc4nc(-c5ccccc5)[nH]c4c3)CC2)c1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALB P02768 1/20 0.70
CHEK2 O96017 9/20 0.47
ACACB O00763 1/20 0.42
MGLL Q99685 1/20 0.41
LMNA P02545 1/20 0.40
PLAU P00749 1/20 0.38
PRSS1 P07477 1/20 0.38
MAPT P10636 2/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
DGAT1 O75907 1/20 0.38
POLB P06746 1/20 0.37

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
SCHEMBL16630759 0.93 ALB (0.78) ALBCHEK2ACACBMGLLLMNA
SCHEMBL16630761 0.90 ALB (0.86) ALBCHEK2ACACBMGLLLMNA
SCHEMBL16620020 0.84 ALB (0.61) ALBCHEK2ACACBMGLLLMNA
SCHEMBL20707683 0.84 ALB (0.66) ALBCHEK2ACACBMGLLLMNA
SCHEMBL16630755 0.82 ALB (1.00) ALBCHEK2LMNAMAPTPOLB
SCHEMBL16619540 0.77 ALB (0.71) ALBCHEK2LMNAMAPTPOLB
SCHEMBL20707605 0.74 ALB (0.59) ALBMGLLBCHEACHE
SCHEMBL16619144 0.74 ALB (0.61) ALBCHEK2ACACBMGLLBCHE
SCHEMBL16619938 0.71 ALB (0.58) ALBCHEK2MGLLLMNAMAPT
SCHEMBL16619698 0.70 ALB (0.54) ALBCHEK2ACACBMGLLMAPT

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
EP-3052483-B1 COMPOUNDS FOR AFFINITY CHROMATOGRAPHY GLAXOSMITHKLINE IP DEV LTD (GB) 2019-02-06 EP disclosed