SCHEMBL670016

SCHEMBL670016

CCCCCCCC[n+]1cc[nH]c1C.N#C[B-](C#N)(C#N)C#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.40
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAD52 P43351 4/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
LMNA P02545 3/20 0.37
HSP90AA1 P07900 3/20 0.37
KDM4E B2RXH2 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
HSPD1 P10809 1/20 0.37
HSPE1 P61604 1/20 0.37
CHRM2 P08172 2/20 0.35
ADRA2A P08913 2/20 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
SCHEMBL29726515 0.87 HTT (0.46) HTTKMT2AMEN1MAPTTP53
SCHEMBL5287538 0.87 HTT (0.46) HTTKMT2AMEN1MAPTTP53
SCHEMBL5090775 0.87 HTT (0.46) HTTKMT2AMEN1MAPTTP53
SCHEMBL363480 0.87 HTT (0.46) HTTKMT2AMEN1MAPTTP53
SCHEMBL5086772 0.87 HTT (0.46) HTTKMT2AMEN1MAPTTP53
SCHEMBL1137199 0.87 HTT (0.46) HTTKMT2AMEN1MAPTTP53
SCHEMBL2328683 0.87 HTT (0.46) HTTKMT2AMEN1MAPTTP53
SCHEMBL9935730 0.87 HTT (0.46) HTTKMT2AMEN1MAPTTP53
SCHEMBL9902243 0.87 HTT (0.46) HTTKMT2AMEN1MAPTTP53
Hydrochloric Acid SCHEMBL2935144 0.86 HTT (0.44) HTTKMT2AMEN1MAPTTP53

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
WO-2015089001-A1 POLYMER FILMS, GELS, AND FOAMS CONTAINING ELECTRICALLY CONDUCTIVE PATTERNS, AND ELECTRONIC DEVICES CONTAINING SUCH FILMS, GELS, AND FOAMS RHODIA OPERATIONS (FR) 2015-06-18 WO claimed
EP-3167005-A1 ELECTRICALLY CONDUCTIVE POLYMER COMPLEXES AND ELECTRONIC DEVICES CONTAINING SUCH COMPLEXES Rhodia Operations (FR) 2017-05-17 EP disclosed
WO-2016090087-A1 ELECTRICALLY CONDUCTIVE POLYMER FILMS AND COMPLEXES CONTAINING A CONDUCTIVITY ENHANCING AGENT, AND ELECTRONIC DEVICES CONTAINING SUCH FILMS AND COMPLEXES RHODIA OPERATIONS (FR) 2016-06-09 WO disclosed
WO-2016007746-A1 ELECTRICALLY CONDUCTIVE POLYMER COMPLEXES AND ELECTRONIC DEVICES CONTAINING SUCH COMPLEXES RHODIA OPERATIONS (FR) 2016-01-14 WO disclosed
WO-2015089001-A1 POLYMER FILMS, GELS, AND FOAMS CONTAINING ELECTRICALLY CONDUCTIVE PATTERNS, AND ELECTRONIC DEVICES CONTAINING SUCH FILMS, GELS, AND FOAMS RHODIA OPERATIONS (FR) 2015-06-18 WO disclosed
EP-2606491-A1 FILMS CONTAINING ELECTRICALLY CONDUCTIVE POLYMERS Rhodia Operations (FR) 2013-06-26 EP disclosed
EP-2606530-A2 POLYMER COMPOSITIONS, POLYMER FILMS, POLYMER GELS, POLYMER FOAMS, AND ELECTRONIC DEVICES CONTAINING SUCH FILMS, GELS, AND FOAMS Rhodia Operations (FR) 2013-06-26 EP disclosed
WO-2012023992-A1 FILMS CONTAINING ELECTRICALLY CONDUCTIVE POLYMERS RHODIA OPERATIONS (FR) 2012-02-23 WO disclosed
WO-2012023989-A2 POLYMER COMPOSITIONS, POLYMER FILMS, POLYMER GELS, POLYMER FOAMS, AND ELECTRONIC DEVICES CONTAINING SUCH FILMS, GELS, AND FOAMS RHODIA OPERATIONS (FR) 2012-02-23 WO disclosed