SCHEMBL23784162

SCHEMBL23784162

CCCN(CC/C=C(/C#N)C=O)c1ncccn1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HPGD P15428 1/20 0.31
CASP1 P29466 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
SCHEMBL13701705 0.72 KCNA5 (0.44) MAPTSMN1; SMN2MEN1NPC1LMNA
SCHEMBL28290723 0.70
SCHEMBL16544497 0.65 UTS2R (0.41) MAPTSMN1; SMN2MEN1NPC1LMNA
SCHEMBL23982875 0.62
SCHEMBL28232057 0.60 DNM1 (0.42) SMN1; SMN2NPC1LMNAHTTRAB9A
SCHEMBL28220432 0.58 DNM1 (0.46) SMN1; SMN2NPC1LMNAHTTRAB9A
SCHEMBL4723984 0.57 MAPT (0.41) MAPTSMN1; SMN2MEN1NPC1HTT
SCHEMBL16415843 0.57 SMN1; SMN2 (0.41) SMN1; SMN2MEN1NPC1ALDH1A1RAB9A
SCHEMBL26296867 0.56 MAPT (0.39) MAPTSMN1; SMN2HTT
SCHEMBL16199856 0.56 HCAR3 (0.49) MAPTSMN1; SMN2ALDH1A1LMNA

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-3875450-A1 NRF2 ACTIVATOR Biogen MA Inc. (US) 2021-09-08 EP disclosed