SCHEMBL13814467

SCHEMBL13814467

CCN1CC[N+](CC)=C1SSC1=[N+](CC)CCN1CC

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FURIN P09958 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
NR2F2 P24468 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
RUNX1 Q01196 1/20 0.33
KMT2A Q03164 1/20 0.33
CBFB Q13951 1/20 0.33
SMN1; SMN2 Q16637 1/20 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
SCHEMBL24233131 0.72 FURIN (0.34) FURINKDM4EMEN1NPC1ALDH1A1
Hydrochloric Acid SCHEMBL7222311 0.71 FURIN (0.33) FURINKDM4EMEN1NPC1ALDH1A1
Bromide SCHEMBL4652704 0.71 FURIN (0.33) FURINKDM4EMEN1NPC1ALDH1A1
Iodide SCHEMBL7218732 0.71 KDM4E (0.36) FURINKDM4EMEN1NPC1ALDH1A1
Bromide SCHEMBL4652927 0.71 FURIN (0.33) FURINKDM4EMEN1NPC1ALDH1A1
Iodide SCHEMBL7222757 0.71 KDM4E (0.36) FURINKDM4EMEN1NPC1ALDH1A1
SCHEMBL2954136 0.68 SMN1; SMN2 (0.33) FURINKDM4EMEN1NPC1ALDH1A1
SCHEMBL25752152 0.64 FURIN (0.30) FURIN
SCHEMBL599355 0.58
SCHEMBL2858729 0.58 SMN1; SMN2 (0.31) FURINKDM4EMEN1NPC1ALDH1A1

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
US-20090151779-A1 Redox Couples, Compositions and Uses Thereof DAI-ICHI KOGYO SEIYAKU CO., LTD. (JP) 2009-06-18 US disclosed