SCHEMBL3940338

SCHEMBL3940338

CCCCCCCCOC(=O)CCN1C(=CC=CC=CC=Cc2sc3ccccc3[n+]2CCC[N+](CC)(CC)CC)Sc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.53
▸ KMT2A Q03164 5/20 0.53
▸ HTT P42858 4/20 0.53
▸ BLM P54132 4/20 0.53
▸ NPC1 O15118 4/20 0.52
▸ RAB9A P51151 4/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ POLB P06746 2/20 0.52
▸ MAPT P10636 2/20 0.52
▸ THRB P10828 2/20 0.52
▸ PKM P14618 2/20 0.52
▸ RECQL P46063 2/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ NPSR1 Q6W5P4 2/20 0.52
▸ TDP1 Q9NUW8 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ USP2 O75604 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ GAA P10253 1/20 0.52
▸ XBP1 P17861 1/20 0.52

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
SCHEMBL3940336 1.00 MEN1 (0.53) MEN1KMT2AHTTBLMNPC1
Bromide SCHEMBL5918803 0.99 MEN1 (0.52) MEN1KMT2AHTTBLMNPC1
SCHEMBL3932615 0.85 MEN1 (0.61) MEN1KMT2AHTTBLMNPC1
SCHEMBL3932616 0.85 MEN1 (0.61) MEN1KMT2AHTTBLMNPC1
SCHEMBL3941481 0.85 MEN1 (0.66) MEN1KMT2AHTTBLMNPC1
SCHEMBL3941480 0.85 MEN1 (0.66) MEN1KMT2AHTTBLMNPC1
SCHEMBL20016277 0.85 MEN1 (0.66) MEN1KMT2AHTTBLMNPC1
SCHEMBL16683317 0.85 MEN1 (0.66) MEN1KMT2AHTTBLMNPC1
SCHEMBL3932399 0.85 MEN1 (0.63) MEN1KMT2AHTTBLMNPC1
SCHEMBL3932393 0.85 MEN1 (0.63) 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
Send feedback