SCHEMBL2928697

SCHEMBL2928697

NC(=O)Nc1cc(-c2ccc(CN3CCOCC3)cc2)sc1OC(N)=O

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP3K7 O43318 1/20 0.54
CHEK1 O14757 2/20 0.50
HDAC1 Q13547 1/20 0.46
HRH3 Q9Y5N1 1/20 0.44
SMN1; SMN2 Q16637 5/20 0.43
LMNA P02545 2/20 0.43
HIF1A Q16665 2/20 0.43
EPAS1 Q99814 2/20 0.43
RAB9A P51151 7/20 0.43
NPC1 O15118 6/20 0.43
TP53 P04637 3/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
TBK1 Q9UHD2 1/20 0.42
AOC3 Q16853 1/20 0.42
ALDH1A1 P00352 2/20 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
SCHEMBL1928700 0.84 MAP3K7 (0.70) MAP3K7CHEK1HDAC1HRH3SMN1; SMN2
SCHEMBL2934362 0.84 CHEK1 (0.58) MAP3K7CHEK1HRH3SMN1; SMN2LMNA
SCHEMBL2926992 0.83 MAP3K7 (0.49) MAP3K7CHEK1SMN1; SMN2LMNARAB9A
SCHEMBL2931062 0.81 CHEK1 (0.59) MAP3K7CHEK1HRH3SMN1; SMN2LMNA
SCHEMBL1928109 0.78 CHEK1 (0.80) MAP3K7CHEK1SMN1; SMN2KMT2AMEN1
SCHEMBL2932197 0.75 CHEK1 (0.48) CHEK1RAB9ANPC1ALDH1A1
SCHEMBL1926780 0.75 CHEK1 (0.81) MAP3K7CHEK1SMN1; SMN2KMT2AMEN1
SCHEMBL2930060 0.74 CHEK1 (0.70) MAP3K7CHEK1KMT2AMEN1TBK1
SCHEMBL2933445 0.73 CHEK1 (0.72) MAP3K7CHEK1HRH3KMT2AMEN1
SCHEMBL3510941 0.73 CHEK1 (0.56) MAP3K7CHEK1HRH3TBK1AOC3

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-1421074-B1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2010-09-29 EP claimed