SCHEMBL3931337

SCHEMBL3931337

CC[N+](CC)(CC)CCCN1C(=CC=C[c+]2sc3ccccc3n2CCC[N+](CC)(CC)CC)Sc2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 10/20 0.37
▸ KMT2A Q03164 10/20 0.37
▸ HTT P42858 4/20 0.37
▸ BLM P54132 3/20 0.37
▸ NPC1 O15118 5/20 0.36
▸ RAB9A P51151 5/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ APAF1 O14727 1/20 0.36
▸ APP P05067 1/20 0.36
▸ ITGB2 P05107 1/20 0.36
▸ ALPL P05186 1/20 0.36
▸ ITGAM P11215 1/20 0.36
▸ GFER P55789 1/20 0.36
▸ PDF Q9HBH1 3/20 0.36
▸ MAPT P10636 7/20 0.35
▸ ALDH1A1 P00352 6/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ THRB P10828 3/20 0.35
▸ LMNA P02545 3/20 0.35

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
Bromide SCHEMBL5918606 0.99 MEN1 (0.36) MEN1KMT2AHTTBLMNPC1
SCHEMBL3941486 0.96 MEN1 (0.39) MEN1KMT2AHTTBLMNPC1
Bromide SCHEMBL5918640 0.95 MEN1 (0.38) MEN1KMT2AHTTBLMNPC1
SCHEMBL3942802 0.93 MEN1 (0.40) MEN1KMT2AHTTBLMNPC1
Bromide SCHEMBL5918633 0.92 MEN1 (0.39) MEN1KMT2AHTTBLMNPC1
Bromide SCHEMBL5918647 0.92 MEN1 (0.39) MEN1KMT2AHTTBLMNPC1
SCHEMBL3932404 0.91 MEN1 (0.40) MEN1KMT2AHTTBLMNPC1
SCHEMBL5918604 0.91 PDF (0.41) MEN1KMT2AHTTBLMNPC1
Bromide SCHEMBL5918710 0.91 MEN1 (0.43) MEN1KMT2AHTTBLMNPC1
Bromide SCHEMBL5918790 0.91 MEN1 (0.39) 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
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