SCHEMBL4457005

SCHEMBL4457005

COC(=O)Oc1cccc2ncn(CC(=O)Nc3cc(OC)cc(OC)c3)c12

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
LMNA P02545 2/20 0.48
KMT2A Q03164 3/20 0.46
MAPT P10636 3/20 0.46
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 2/20 0.45
SMN1; SMN2 Q16637 5/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HTT P42858 1/20 0.43
TP53 P04637 1/20 0.43
ACHE P22303 1/20 0.43
BACE1 P56817 1/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL4975792 0.91 POLB (0.54) POLBLMNAKMT2AMAPTMEN1
SCHEMBL4462916 0.91 RXFP1 (0.47) POLBLMNAKMT2AMAPTKDM4E
SCHEMBL4972968 0.89 POLB (0.50) POLBLMNAKMT2AMAPTMEN1
SCHEMBL4974158 0.88 ALDH1A1 (0.52) POLBLMNAKMT2AMAPTMEN1
SCHEMBL4974960 0.87 POLB (0.48) POLBLMNAKMT2AMAPTMEN1
SCHEMBL3045782 0.86 SMN1; SMN2 (0.51) POLBLMNAKMT2AMAPTMEN1
SCHEMBL4977711 0.86 POLB (0.47) POLBLMNAKMT2AMAPTMEN1
SCHEMBL4453442 0.86 SMN1; SMN2 (0.62) POLBLMNAKMT2AMAPTMEN1
SCHEMBL3042993 0.85 POLB (0.48) POLBLMNAKMT2AMAPTMEN1
SCHEMBL3041004 0.85 MAPT (0.48) POLBLMNAKMT2AMAPTMEN1

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-1626964-B1 NEW BENZIMIDAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2009-01-21 EP claimed