SCHEMBL4406565

SCHEMBL4406565

COCCOCCOCCOCCOCCOOCCOCCOCCOCCOCCOOCCOCCOCCOCCOCCOOCCOCCOCCOCCOCCOOCCOCCOCCOCCOCCOOCCOCCOCCOCCOCCOOCCOCCOCCOCCOCCOOCCOCCOCCOCCOCCOOCCOCCOCCOCCOCCOOCCOCCOCCOCCOCCOCCNC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MTNR1A P48039 5/20 0.42
MTNR1B P49286 5/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 2/20 0.40
KDM4E B2RXH2 2/20 0.40
HIF1A Q16665 1/20 0.40
TSHR P16473 3/20 0.38
USP2 O75604 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP1A2 P05177 1/20 0.36
EPHX2 P34913 1/20 0.35

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
SCHEMBL12417673 0.94 MEN1 (0.48) MEN1KMT2AMTNR1AMTNR1BSMN1; SMN2
SCHEMBL19127326 0.94 MEN1 (0.48) MEN1KMT2AMTNR1AMTNR1BSMN1; SMN2
SCHEMBL16420207 0.94 MEN1 (0.48) MEN1KMT2AMTNR1AMTNR1BSMN1; SMN2
SCHEMBL12417668 0.94 MEN1 (0.48) MEN1KMT2AMTNR1AMTNR1BSMN1; SMN2
SCHEMBL19127441 0.94 MEN1 (0.48) MEN1KMT2AMTNR1AMTNR1BSMN1; SMN2
SCHEMBL13590559 0.94 MEN1 (0.48) MEN1KMT2AMTNR1AMTNR1BSMN1; SMN2
SCHEMBL15223770 0.94 MEN1 (0.48) MEN1KMT2AMTNR1AMTNR1BSMN1; SMN2
SCHEMBL6002499 0.94 MEN1 (0.48) MEN1KMT2AMTNR1AMTNR1BSMN1; SMN2
SCHEMBL423611 0.94 MEN1 (0.48) MEN1KMT2AMTNR1AMTNR1BSMN1; SMN2
SCHEMBL18467815 0.94 MEN1 (0.48) MEN1KMT2AMTNR1AMTNR1BSMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173843-B2 Amphiphilic derivatives of α-C-phenyl-N-tert-butylnitrone TS PHARMA (FR) 2012-05-08 US disclosed
US-7655251-B2 Amphiphilic derivatives of α-C-phenyl-N-tert-butylnitrone TS PHARMA (FR) 2010-02-02 US disclosed