SCHEMBL230840

SCHEMBL230840

CCCC(c1nc2ccccc2n1CCC)c1nc2ccccc2n1CCC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.58
SMN1; SMN2 Q16637 3/20 0.57
LMNA P02545 2/20 0.54
ALDH1A1 P00352 3/20 0.54
KDM4E B2RXH2 2/20 0.54
TP53 P04637 2/20 0.54
HPGD P15428 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
NPC1 O15118 1/20 0.54
CYP1A2 P05177 1/20 0.54
GLA P06280 1/20 0.54
CYP3A4 P08684 1/20 0.54
GAA P10253 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C19 P33261 1/20 0.54
RAB9A P51151 1/20 0.54
RECQL P46063 1/20 0.54
HSD17B10 Q99714 2/20 0.52
MEN1 O00255 1/20 0.52

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
SCHEMBL5551899 0.85 SMN1; SMN2 (0.70) SMN1; SMN2LMNAKDM4ETP53L3MBTL1
SCHEMBL22962259 0.84 SMN1; SMN2 (0.64) POLBSMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL7514957 0.81 SMN1; SMN2 (0.61) POLBSMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL13497729 0.81 POLB (0.62) POLBSMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL7946744 0.80 NPSR1 (0.61) SMN1; SMN2LMNAALDH1A1KDM4EHPGD
SCHEMBL7946547 0.76 NPSR1 (0.68) POLBSMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL229041 0.75 POLB (0.67) POLBSMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL10368381 0.75 POLB (0.54) POLBSMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL227741 0.74 KDM4E (0.74) POLBSMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL25776063 0.74 CYP2D6 (0.54) POLBSMN1; SMN2LMNAKDM4ETP53

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 19 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 claimed
US-9011734-B2 Ligand exchange thermochromic, (LETC), systems PLEOTINT, L.L.C. (US) 2015-04-21 US disclosed
EP-2082005-B9 LIGAND EXCHANGE THERMOCHROMIC, (LETC), SYSTEMS PLEOTINT LLC (US) 2013-05-22 EP disclosed
US-8431045-B2 Ligand exchange thermochromic systems and high ε ligands for same PLEOTINT, L.L.C. (US) 2013-04-30 US disclosed
US-20120292581-A1 LIGAND EXCHANGE THERMOCHROMIC SYSTEMS AND HIGH E LIGANDS FOR SAME PLEOTINT, LLC (US) 2012-11-22 US disclosed
EP-2082005-B1 LIGAND EXCHANGE THERMOCHROMIC, (LETC), SYSTEMS PLEOTINT LLC (US) 2012-08-01 EP disclosed
US-8182718-B2 Ligand exchange thermochromic systems and high ε ligands for same PLEOTINT, L.L.C. (US) 2012-05-22 US disclosed
EP-2436750-A2 Ligand exchange thermochromic, (LETC), systems Pleotint, L.L.C. (US) 2012-04-04 EP disclosed
EP-2434000-A2 Ligand exchange thermochromic, (LETC), systems Pleotint, L.L.C. (US) 2012-03-28 EP disclosed
US-20120001134-A1 LIGAND EXCHANGE THERMOCHROMIC, (LETC), SYSTEMS PLEOTINT, LLC (US) 2012-01-05 US 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
US-7542196-B2 Ligand exchange thermochromic, (LETC), systems PLEOTINT, L.L.C. (US) 2009-06-02 US disclosed
US-7538931-B2 Ligand exchange thermochromic systems containing exchange metals PLEOTINT, L.L.C. (US) 2009-05-26 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-20080106781-A1 LIGAND EXCHANGE THERMOCHROMIC SYSTEMS CONTAINING EXCHANGE METALS PLEOTINT, LLC (US) 2008-05-08 US disclosed
US-20080105851-A1 Exhibiting a reversible change in absorbance of electromagnetic radiation as the temperature of the system is reversibly changed; comprising a transition metal ion and a ligand PLEOTINT, LLC (US) 2008-05-08 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