SCHEMBL12433008

SCHEMBL12433008

CC[n+]1ccccc1/C=C/c1ccccc1N(C)CCCN(C)C(=O)CS

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
STAT3 P40763 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.35
KDM4A O75164 2/20 0.33
KDM2A Q9Y2K7 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
SCHEMBL10104159 0.89 MEN1 (0.40) MEN1NPC1ALDH1A1MAPTSTAT3
SCHEMBL10104141 0.77 KMT2A (0.48) MEN1NPC1ALDH1A1MAPTSTAT3
SCHEMBL17911706 0.75 KMT2A (0.59) MEN1NPC1ALDH1A1MAPTSTAT3
Iodide SCHEMBL7031948 0.73 KMT2A (0.62) MEN1NPC1ALDH1A1MAPTSTAT3
SCHEMBL12433011 0.73 LTB4R (0.31)
SCHEMBL10104103 0.73 MEN1 (0.56) MEN1NPC1ALDH1A1MAPTSTAT3
SCHEMBL12668473 0.71 MEN1 (0.54) MEN1NPC1ALDH1A1MAPTSTAT3
SCHEMBL10104158 0.71 CHAT (0.40) MEN1NPC1ALDH1A1MAPTHTT
SCHEMBL12431923 0.70 MEN1 (0.52) MEN1NPC1ALDH1A1MAPTSTAT3
SCHEMBL15334645 0.69 CHAT (0.41) MEN1NPC1MAPTRAB9AKMT2A

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-2004755-B1 DYEING COMPOSITION CONTAINING A THIOL/DISULPHIDE FLUORESCENT COLORANT HAVING AN EXTERNAL CATIONIC CHARGE AND AN INTERRUPTED ALKYLENE CHAIN, AND METHOD FOR LIGHTENING KERATIN MATERIALS USING SAID COLORANT OREAL (FR) 2011-08-03 EP disclosed
WO-2007110533-A2 DYEING COMPOSITION CONTAINING A THIOL/DISULPHIDE FLUORESCENT COLORANT HAVING AN EXTERNAL CATIONIC CHARGE AND AN INTERRUPTED ALKYLENE CHAIN, AND METHOD FOR LIGHTENING KERATIN MATERIALS USING SAID COLORANT L'ORÉAL (FR) 2007-10-04 WO disclosed