SCHEMBL3934306

SCHEMBL3934306

CC[N+](CC)(CC)CCCN1/C(=C\C=C(C)\C=C\c2sc3ccccc3[n+]2CCC[N+](CC)(CC)CC)Sc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.50
KMT2A Q03164 7/20 0.50
HTT P42858 5/20 0.50
BLM P54132 4/20 0.50
NPC1 O15118 5/20 0.49
RAB9A P51151 5/20 0.49
APP P05067 3/20 0.49
APAF1 O14727 2/20 0.49
ITGB2 P05107 1/20 0.49
ALPL P05186 1/20 0.49
ITGAM P11215 1/20 0.49
GFER P55789 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MAPT P10636 4/20 0.48
ALDH1A1 P00352 3/20 0.48
POLB P06746 3/20 0.48
PKM P14618 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
THRB P10828 2/20 0.48
RECQL P46063 2/20 0.48

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
SCHEMBL3934310 1.00 MEN1 (0.50) MEN1KMT2AHTTBLMNPC1
SCHEMBL13232576 0.88 MEN1 (0.65) MEN1KMT2AHTTBLMNPC1
SCHEMBL3931334 0.88 MEN1 (0.65) MEN1KMT2AHTTBLMNPC1
SCHEMBL3931331 0.88 MEN1 (0.65) MEN1KMT2AHTTBLMNPC1
SCHEMBL71319 0.88 MEN1 (0.52) MEN1KMT2AHTTBLMNPC1
Bromide SCHEMBL5918605 0.88 MEN1 (0.64) MEN1KMT2AHTTBLMNPC1
SCHEMBL3941481 0.87 MEN1 (0.66) MEN1KMT2AHTTBLMNPC1
SCHEMBL3941480 0.87 MEN1 (0.66) MEN1KMT2AHTTBLMNPC1
SCHEMBL20016277 0.87 MEN1 (0.66) MEN1KMT2AHTTBLMNPC1
SCHEMBL16683317 0.87 MEN1 (0.66) MEN1KMT2AHTTBLMNPC1

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-1609459-B1 Use of polycationic compounds for dyeing keratinous fibers OREAL (FR) 2009-04-08 EP disclosed
EP-1609459-A1 Use of polycationic compounds for dyeing keratinous fibers L'OREAL (FR) 2005-12-28 EP disclosed