SCHEMBL28065407

SCHEMBL28065407

CC(C=O)C(=O)NN1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.42
HTT P42858 1/20 0.37
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
TP53 P04637 1/20 0.34
GLA P06280 1/20 0.34
CYP3A4 P08684 1/20 0.34
GAA P10253 1/20 0.34
ALOX12 P18054 1/20 0.34
NFKB1 P19838 1/20 0.34
LIPE Q05469 2/20 0.33
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP8 P22894 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL21650439 0.79 L3MBTL1 (0.47) L3MBTL1HTTALDH1A1MAPTKDM4E
Hydrochloric Acid SCHEMBL11630698 0.78 L3MBTL1 (0.46) L3MBTL1HTTALDH1A1MAPTKDM4E
SCHEMBL4109205 0.78 L3MBTL1 (0.46) L3MBTL1HTTALDH1A1MAPTKDM4E
SCHEMBL10305720 0.77 L3MBTL1 (0.44) L3MBTL1HTTALDH1A1MAPTKDM4E
SCHEMBL4104345 0.75 L3MBTL1 (0.43) L3MBTL1HTTALDH1A1MAPTKDM4E
SCHEMBL28682071 0.74 L3MBTL1 (0.42) L3MBTL1HTTALDH1A1MAPTKDM4E
SCHEMBL8869669 0.74 L3MBTL1 (0.42) L3MBTL1HTTALDH1A1MAPTKDM4E
SCHEMBL7631548 0.72 L3MBTL1 (0.41) L3MBTL1HTTALDH1A1MAPTKDM4E
SCHEMBL15055310 0.72 L3MBTL1 (0.41) L3MBTL1HTTALDH1A1MAPTKDM4E
SCHEMBL9530715 0.72 L3MBTL1 (0.41) L3MBTL1HTTALDH1A1MAPTKDM4E

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
CN-105593224-A Novel quinazolinones as bromodomain inhibitors ZENITH EPIGENETICS CORP 2016-05-18 CN disclosed