SCHEMBL13069360

SCHEMBL13069360

Cn1cc[n+](C)c1/N=N/c1ccc(NCCNc2ccc(/N=N/c3n(C)cc[n+]3C)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.34
HDAC8 Q9BY41 4/20 0.33
GAA P10253 2/20 0.32
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL14566058 0.94 ALDH1A1 (0.33) MAPTHDAC8GAANPSR1L3MBTL1
SCHEMBL14435452 0.94 ALDH1A1 (0.33) MAPTHDAC8GAANPSR1L3MBTL1
SCHEMBL17784639 0.94 HDAC8 (0.32) MAPTHDAC8GAANPSR1L3MBTL1
SCHEMBL17784551 0.94 ALDH1A1 (0.33) MAPTHDAC8GAANPSR1L3MBTL1
SCHEMBL19348870 0.94 HDAC8 (0.32) MAPTHDAC8GAANPSR1L3MBTL1
SCHEMBL17784676 0.93 PRSS1 (0.32) HDAC8
Hydrochloric Acid SCHEMBL19348818 0.93 NPSR1 (0.32) MAPTHDAC8NPSR1L3MBTL1ALDH1A1
Bromide SCHEMBL19348863 0.93 ALDH1A1 (0.32) MAPTHDAC8ALDH1A1
SCHEMBL14593806 0.93 ALDH1A1 (0.32) MAPTHDAC8GAAALDH1A1
SCHEMBL13201277 0.93 ALDH1A1 (0.32) MAPTHDAC8GAAALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1399115-B1 DYEING COMPOSITION FOR HUMAN KERATINOUS FIBRES WITH DIRECT DYES AND DICATIONIC COMPOUNDS OREAL (FR) 2010-11-10 EP disclosed
US-7754863-B2 Metal complex compounds for the optical recording, storage and playback of information; satisfactory sensitivity and recording properties, especially at high recording speeds CIBA SPECIALTY CHEMICALS CORP. (US) 2010-07-13 US disclosed
EP-1399116-B1 USE OF DICATIONIC COMPOUNDS FOR DYEING HUMAN KERATINOUS FIBRES AND COMPOSITIONS CONTAINING SAME OREAL (FR) 2009-08-05 EP disclosed
EP-1416908-B1 DYEING COMPOSITION FOR HUMAN KERATINOUS FIBRES WITH OXIDATION DYES AND DICATIONIC COMPOUNDS OREAL (FR) 2008-10-29 EP disclosed
US-7261743-B2 Dicationic compounds for dyeing human keratin fibers, and compositions comprising them L'OREAL (FR) 2007-08-28 US disclosed
US-7189266-B2 Dyeing composition for human keratinous fibres with direct dyes and dicationic compounds L'OREAL, S.A. (FR) 2007-03-13 US disclosed
US-7172631-B2 Dyeing composition for human keratinous fibers with oxidation dyes and dicationic compounds L'OREAL S.A. (FR) 2007-02-06 US disclosed