SCHEMBL665789

SCHEMBL665789

Cc1n(C)cc[n+]1C.Cc1n(C)cc[n+]1C.Cc1n(C)cc[n+]1C.Cc1n(C)cc[n+]1C.Cc1n(C)cc[n+]1C.Cc1n(C)cc[n+]1C.Cc1n(C)cc[n+]1C.Cc1n(C)cc[n+]1C.N#CB([O-])[O-].N#CB([O-])[O-].N#CB([O-])[O-].N#CB([O-])[O-]

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 4/20 0.48
ACHE P22303 1/20 0.31
POLB P06746 1/20 0.31
APOBEC3A P31941 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
Cyanate SCHEMBL28816941 0.86 HDAC8 (0.53) HDAC8ACHEPOLBAPOBEC3ACTDSP1
Thiocyanic Acid SCHEMBL666158 0.82 HDAC8 (0.53) HDAC8ACHEPOLBAPOBEC3ACTDSP1
SCHEMBL1991873 0.80 HDAC8 (0.50) HDAC8ACHEPOLBAPOBEC3ACTDSP1
Bromide SCHEMBL1537041 0.80
Fluoride Ion SCHEMBL1896291 0.80
SCHEMBL15212808 0.78 ACHE (0.39) HDAC8ACHE
Fluoride Ion SCHEMBL27602339 0.78 HDAC8 (0.52) HDAC8ACHEPOLBAPOBEC3ACTDSP1
SCHEMBL15212462 0.77 ACHE (0.41) HDAC8ACHE
SCHEMBL27719250 0.74 HDAC8 (0.48) HDAC8ACHEPOLBAPOBEC3ACTDSP1
SCHEMBL486560 0.74 HDAC8 (0.48) HDAC8ACHEPOLBAPOBEC3ACTDSP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170204241-A1 ELECTRICALLY CONDUCTIVE POLYMER COMPLEXES AND ELECTRONIC DEVICES CONTAINING SUCH COMPLEXES RHODIA OPERATIONS (FR) 2017-07-20 US disclosed
EP-2606530-B1 POLYMER COMPOSITIONS, POLYMER FILMS, POLYMER GELS, POLYMER FOAMS, AND ELECTRONIC DEVICES CONTAINING SUCH FILMS, GELS, AND FOAMS RHODIA OPERATIONS (FR) 2017-04-26 EP disclosed
US-9552903-B2 Polymer compositions, polymer films, polymer gels, polymer foams, and electronic devices containing such films, gels and foams RHODIA OPERATIONS (FR) 2017-01-24 US disclosed
US-20160312006-A1 POLYMER COMPOSITIONS, FILMS, GELS, AND FOAMS CONTAINING SULFONYLIMIDE SALTS, AND ELECTRONIC DEVICES CONTAINING SUCH FILMS, GELS, AND FOAMS RHODIA OPERATIONS (FR) 2016-10-27 US disclosed
US-9378859-B2 Polymer compositions, polymer films, polymer gels, polymer foams, and electronic devices containing such films, gels and foams RHODIA OPERATIONS (FR) 2016-06-28 US disclosed
US-20140291584-A1 POLYMER COMPOSITIONS, POLYMER FILMS, POLYMER GELS, POLYMER FOAMS, AND ELECTRONIC DEVICES CONTAINING SUCH FILMS, GELS AND FOAMS RHODIA OPERATIONS (FR) 2014-10-02 US disclosed
US-8784690-B2 Polymer compositions, polymer films, polymer gels, polymer foams, and electronic devices containing such films, gels and foams RHODIA OPERATIONS (FR) 2014-07-22 US disclosed
US-20120052395-A1 Polymer compositions, polymer films, polymer gels, polymer foams, and electronic devices containing such films, gels and foams CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-03-01 US disclosed
US-20120043530-A1 Polymer compositions, polymer films, polymer gels, polymer foams, and electronic devices containing such films, gels and foams CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-02-23 US disclosed