SCHEMBL626559

SCHEMBL626559

CCCCOC(=O)NC(CN(c1ccccc1)c1ncccn1)C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.40
SIRT2 Q8IXJ6 1/20 0.39
GAA P10253 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SMN1; SMN2 Q16637 7/20 0.38
NPC1 O15118 5/20 0.38
RAB9A P51151 5/20 0.38
LMNA P02545 1/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPK1 P28482 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
MCL1 Q07820 1/20 0.38
TSHR P16473 1/20 0.38
ACE P12821 1/20 0.37
ACE2 Q9BYF1 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CNR1 P21554 2/20 0.37
CNR2 P34972 2/20 0.37

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
SCHEMBL625758 0.81 REN (0.43) CTSKACE
SCHEMBL625757 0.81 REN (0.43) CTSKACE
SCHEMBL626561 0.77 SMN1; SMN2 (0.41) CTSKGAATDP1SMN1; SMN2NPC1
SCHEMBL7288109 0.76 ACE (0.54) CTSKSIRT2ACEACE2CNR1
SCHEMBL7288116 0.76 ACE (0.54) CTSKSIRT2ACEACE2CNR1
SCHEMBL626560 0.74 ALDH1A1 (0.41) GAATDP1SMN1; SMN2NPC1RAB9A
SCHEMBL10082616 0.73 IKBKB (0.41) CTSKSIRT2GAARAB9ALMNA
SCHEMBL7447301 0.73 CTSK (0.44) CTSKSIRT2TDP1SMN1; SMN2NPC1
SCHEMBL625898 0.72 PPARA (0.48) CTSKACEITGB3ITGA2B
SCHEMBL5086307 0.72 HDAC6 (0.49) CTSKHPGDACEACE2ITGB3

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
EP-2603491-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERIC FORMS OF 2,3-DIAMINOPROPIONIC ACID DERIVATIVES SANOFI (FR) 2013-06-19 EP disclosed
WO-2012019967-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERIC FORMS OF 2,3-DIAMINOPROPIONIC ACID DERIVATIVES SANOFI (FR) 2012-02-16 WO disclosed