SCHEMBL844742

SCHEMBL844742

Br[Ni]Br.Cc1cccc(CN(c2ccccn2)c2cccc(C)n2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 2/20 0.42
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
NPSR1 Q6W5P4 1/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
LIN28A Q9H9Z2 1/20 0.37
GRM5 P41594 5/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
CYP2C9 P11712 1/20 0.35
RECQL P46063 1/20 0.35
POLB P06746 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 2/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL229174 0.94 CXCR4 (0.45) CXCR4CYP2D6CYP2C19NPSR1MAPT
SCHEMBL225776 0.93 CXCR4 (0.44) CXCR4CYP2D6CYP2C19NPSR1MAPT
SCHEMBL230597 0.92 CYP2D6 (0.47) CXCR4CYP2D6CYP2C19NPSR1MAPT
SCHEMBL845212 0.91 CXCR4 (0.41) CXCR4CYP2D6CYP2C19NPSR1MAPT
SCHEMBL227814 0.74 GRM5 (0.49) CXCR4CYP2D6CYP2C19NPSR1MAPT
SCHEMBL229152 0.74 GRM5 (0.49) CXCR4CYP2D6CYP2C19NPSR1MAPT
SCHEMBL230049 0.74 MAPT (0.64) CYP2D6CYP2C19NPSR1MAPTSMN1; SMN2
SCHEMBL5027216 0.73 TDP1 (0.59) CXCR4CYP2D6CYP2C19NPSR1MAPT
SCHEMBL5023208 0.73 TDP1 (0.59) CXCR4CYP2D6CYP2C19NPSR1MAPT
SCHEMBL845239 0.71 ALDH1A1 (0.49) MAPTSMN1; SMN2TDP1GRM5POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8182718-B2 Ligand exchange thermochromic systems and high ε ligands for same PLEOTINT, L.L.C. (US) 2012-05-22 US disclosed
EP-2434000-A2 Ligand exchange thermochromic, (LETC), systems Pleotint, L.L.C. (US) 2012-03-28 EP disclosed
US-8018639-B2 Ligand exchange thermochromic, (LETC), systems PLEOTINT, L.L.C. (US) 2011-09-13 US disclosed
US-20090283728-A1 LIGAND EXCHANGE THERMOCHROMIC, (LETC), SYSTEMS PLEOTINT, LLC (US) 2009-11-19 US disclosed
EP-2082005-A1 LIGAND EXCHANGE THERMOCHROMIC, (LETC), SYSTEMS Pleotint, L.L.C. (US) 2009-07-29 EP disclosed
US-7542196-B2 Ligand exchange thermochromic, (LETC), systems PLEOTINT, L.L.C. (US) 2009-06-02 US disclosed
US-7525717-B2 reversible; laminated; transition metal ion coordinated with a high epsilon ligand and a low epsilon ligand; polymer; separator; variable light transmission windows; polyvinyl butyral; nickel or cobalt iodide ligands; diol, triol or polyol ligands PLEOTINT, L.L.C. (US) 2009-04-28 US disclosed
US-20080100903-A1 MULTI-LAYER LIGAND EXCHANGE THERMOCHROMIC SYSTEMS PLEOTINT, LLC (US) 2008-05-01 US disclosed
US-20080100902-A1 LIGAND EXCHANGE THERMOCHROMIC, (LETC), SYSTEMS PLEOTINT, LLC (US) 2008-05-01 US disclosed
WO-2008028128-A1 LIGAND EXCHANGE THERMOCHROMIC, (LETC), SYSTEMS PLEOTINT, L.L.C. (US) 2008-03-06 WO disclosed