SCHEMBL29624315

SCHEMBL29624315

C[n+]1ccn(CCCC#N)c1.N#C[N-]C#N

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
APAF1 O14727 1/20 0.49
NPC1 O15118 1/20 0.49
PLA2G1B P04054 1/20 0.49
HSP90AA1 P07900 1/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ATG4B Q9Y4P1 1/20 0.49
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
FDPS P14324 2/20 0.33

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
SCHEMBL372789 0.92 SMN1; SMN2 (0.56) MEN1APAF1NPC1PLA2G1BHSP90AA1
Bromide SCHEMBL26596998 0.90 SMN1; SMN2 (0.59) MEN1APAF1NPC1PLA2G1BHSP90AA1
Hydrochloric Acid SCHEMBL2229190 0.90 SMN1; SMN2 (0.54) MEN1APAF1NPC1PLA2G1BHSP90AA1
Cyanamide SCHEMBL1340736 0.87 SMN1; SMN2 (0.51) MEN1APAF1NPC1PLA2G1BHSP90AA1
SCHEMBL18507044 0.87 SMN1; SMN2 (0.59) MEN1APAF1NPC1PLA2G1BHSP90AA1
SCHEMBL1956577 0.86 MEN1 (0.63) MEN1APAF1NPC1PLA2G1BHSP90AA1
SCHEMBL4252320 0.86 SMN1; SMN2 (0.50) MEN1APAF1NPC1PLA2G1BHSP90AA1
SCHEMBL30115010 0.84 MEN1 (0.71) MEN1APAF1NPC1PLA2G1BHSP90AA1
SCHEMBL1340737 0.84 MEN1 (0.49) MEN1APAF1NPC1PLA2G1BHSP90AA1
Bromide SCHEMBL9547363 0.84 SMN1; SMN2 (0.65) MEN1APAF1NPC1PLA2G1BHSP90AA1

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
CN-109665597-B Reduction electrode material, method for producing same, and electro-Fenton device using same 韩国科学技术研究院 2022-04-26 CN disclosed