SCHEMBL13618533

SCHEMBL13618533

C=C(CN)CCNC(C)=O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 3/20 0.47
KDM4E B2RXH2 2/20 0.44
MAPK1 P28482 1/20 0.44
HIF1A Q16665 1/20 0.44
TSHR P16473 1/20 0.41
ADRA1A P35348 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MTNR1A P48039 6/20 0.35
MTNR1B P49286 6/20 0.35
CA12 O43570 1/20 0.35
CA4 P22748 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
F13A1 P00488 1/20 0.33
LOX P28300 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL12189514 0.80 TDP1 (0.32) TSHRMTNR1A
SCHEMBL887478 0.80 KDM4E (0.46) PAOXKDM4EMAPK1HIF1ATSHR
SCHEMBL24458682 0.78 KDM4E (0.44) PAOXKDM4EMAPK1HIF1ATSHR
SCHEMBL27346705 0.77
SCHEMBL12310434 0.77
SCHEMBL21419977 0.75 PAOX (0.47) PAOXKDM4EMAPK1HIF1ATSHR
SCHEMBL21845015 0.73 KDM4E (0.48) PAOXKDM4EMAPK1HIF1ATSHR
SCHEMBL751437 0.72
SCHEMBL21064450 0.71 KDM4E (0.46) PAOXKDM4EMAPK1HIF1ATSHR
SCHEMBL21419978 0.71 KDM4E (0.46) PAOXKDM4EMAPK1HIF1ATSHR

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-1889884-B1 Ink composition for inkjet recording SAMSUNG ELECTRONICS CO LTD (KR) 2009-11-11 EP disclosed