SCHEMBL4056676

SCHEMBL4056676

C=C(OC(N)=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
SMN1; SMN2 Q16637 6/20 0.47
MAPT P10636 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
WDR5 P61964 1/20 0.47
MKNK1 Q9BUB5 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
PDCD1 Q15116 2/20 0.43
CD274 Q9NZQ7 2/20 0.43
DHODH Q02127 1/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
PTPN1 P18031 1/20 0.43
GSK3B P49841 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CDC25B P30305 1/20 0.42

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
Biphenyl SCHEMBL10565823 0.80 LMNA (0.48) KDM4ESMN1; SMN2MAPTL3MBTL1WDR5
SCHEMBL4060036 0.77 ALDH1A1 (0.47) KDM4ESMN1; SMN2MAPTL3MBTL1RAB9A
SCHEMBL13887202 0.77 PDCD1 (0.49) KDM4ESMN1; SMN2MAPTWDR5MKNK1
SCHEMBL4064114 0.76 PTPN1 (0.54) SMN1; SMN2RAB9ANPC1PTPN1MEN1
Biphenyl SCHEMBL5494233 0.75 MAPT (0.52) KDM4ESMN1; SMN2MAPTL3MBTL1WDR5
SCHEMBL2455360 0.75 SMN1; SMN2 (0.52) KDM4ESMN1; SMN2MAPTL3MBTL1WDR5
SCHEMBL8767173 0.74 ALDH1A1 (0.41) HPGDKMT2A
SCHEMBL29672410 0.74 LMNA (0.55) KDM4ESMN1; SMN2MAPTHPGDMEN1
SCHEMBL4058318 0.74 SMN1; SMN2 (0.49) KDM4ESMN1; SMN2MAPTL3MBTL1RAB9A
SCHEMBL19802884 0.73 WDR5 (0.60) KDM4ESMN1; SMN2MAPTL3MBTL1WDR5

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
WO-2009109504-A1 ENOL CARBAMATE DERIVATIVES AS MODULATORS OF FATTY ACID AMIDE HYDROLASE SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2009-09-11 WO disclosed