SCHEMBL6906359

SCHEMBL6906359

CC[n+]1ccc(/C=C/C=C(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)c2ccccc21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 6/20 0.66
RAB9A P51151 5/20 0.66
KMT2A Q03164 5/20 0.66
NPSR1 Q6W5P4 5/20 0.66
MEN1 O00255 4/20 0.66
NPC1 O15118 4/20 0.66
L3MBTL1 Q9Y468 4/20 0.66
PKM P14618 4/20 0.66
ALDH1A1 P00352 4/20 0.66
MAPT P10636 4/20 0.66
RAD52 P43351 3/20 0.66
POLB P06746 3/20 0.66
NSD2 O96028 3/20 0.66
MAPK1 P28482 3/20 0.66
LMNA P02545 2/20 0.66
PPARG P37231 2/20 0.66
NCOA2 Q15596 2/20 0.66
NCOA1 Q15788 2/20 0.66
THRB P10828 2/20 0.66
KDM4E B2RXH2 1/20 0.66

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
SCHEMBL5510788 1.00 HTT (0.66) HTTRAB9AKMT2ANPSR1MEN1
SCHEMBL5701148 0.83 RAB9A (0.84) HTTRAB9AKMT2ANPSR1MEN1
SCHEMBL140322 0.83 RAB9A (0.84) HTTRAB9AKMT2ANPSR1MEN1
SCHEMBL13428296 0.81 MEN1 (0.97) HTTRAB9AKMT2ANPSR1MEN1
SCHEMBL10036010 0.81 MEN1 (0.97) HTTRAB9AKMT2ANPSR1MEN1
Iodide SCHEMBL11803644 0.80 MEN1 (1.00) HTTRAB9AKMT2ANPSR1MEN1
Perchlorate SCHEMBL1405333 0.80 RAB9A (0.77) HTTRAB9AKMT2ANPSR1MEN1
Perchlorate SCHEMBL7130210 0.80 RAB9A (0.77) HTTRAB9AKMT2ANPSR1MEN1
Perchlorate SCHEMBL7696414 0.74 RAB9A (0.67) HTTRAB9AKMT2ANPSR1MEN1
SCHEMBL6910010 0.71 KMT2A (0.65) HTTRAB9AKMT2ANPSR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0767809-B1 CURE-INDICATING MOLDING AND COATING COMPOSITION MINNESOTA MINING & MFG (US) 2004-01-21 EP claimed
US-9670330-B2 Method and dye mixtures for marking shape memory polymers, and shape memory polymer articles with switchable readability BAM Bundesanstalt fuer Materialforschung und—Pruefung (DE) 2017-06-06 US disclosed
US-20150119238-A1 METHOD AND DYE MIXTURES FOR MARKING SHAPE MEMORY POLYMERS, AND SHAPE MEMORY POLYMER ARTICLES WITH SWITCHABLE READABILITY BAM BUNDESANSTALT FUER MATERIALFORSCHUNG UND - PRUEFUNG (DE) 2015-04-30 US disclosed
EP-2771392-A2 METHOD AND DYE MIXTURES FOR MARKING SHAPE MEMORY POLYMERS, AND SHAPE MEMORY POLYMER ARTICLES WITH SWITCHABLE READABILITY BAM Bundesanstalt für Materialforschung und -prüfung (DE) 2014-09-03 EP disclosed
WO-2013060831-A2 METHOD AND DYE MIXTURES FOR MARKING SHAPE MEMORY POLYMERS, AND SHAPE MEMORY POLYMER ARTICLES WITH SWITCHABLE READABILITY BAM Bundesanstalt für Materialforschung und -prüfung (DE) 2013-05-02 WO disclosed