SCHEMBL16458256

SCHEMBL16458256

CC(N)C(N)C(=O)NCCc1c[nH]cn1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.37
ATM Q13315 1/20 0.37
ALDH1A1 P00352 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
RECQL P46063 1/20 0.32
SPR P35270 1/20 0.32
NLN Q9BYT8 3/20 0.32
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 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
SCHEMBL5525994 0.89 HTT (0.38) HTTATMALDH1A1L3MBTL1SMN1; SMN2
Hydrochloric Acid SCHEMBL8652194 0.87 HTT (0.38) HTTATMALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL7772829 0.86 HTT (0.37) HTTATMALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL2608923 0.85 RECQL (0.43) HTTATMALDH1A1L3MBTL1MEN1
SCHEMBL7619939 0.84 LARS1 (0.39) HTTATM
SCHEMBL7619941 0.84 LARS1 (0.39) HTTATM
SCHEMBL7624049 0.82 NLN (0.42) NLN
SCHEMBL15398762 0.82 NLN (0.39) NLN
SCHEMBL7624042 0.82 NLN (0.42) NLN
SCHEMBL30399454 0.82 GAA (0.45) HTTATMALDH1A1L3MBTL1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2682095-A1 Family of polyamine arylethylamide compounds, and their cosmetic or dermocosmetic use EXSYMOL S.A.M. (MC) 2014-01-08 EP disclosed