SCHEMBL227210

SCHEMBL227210

CC(C)(c1nc2ccccc2s1)c1nc2ccccc2s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 11/20 0.58
TNF P01375 1/20 0.50
NOD1 Q9Y239 1/20 0.50
ALDH1A1 P00352 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
ADRA2A P08913 1/20 0.48
FBP1 P09467 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
DRD2 P14416 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48
DRD1 P21728 1/20 0.48
MC5R P33032 1/20 0.48
OPRM1 P35372 1/20 0.48
DRD3 P35462 1/20 0.48
OPRK1 P41145 1/20 0.48
CCR2 P41597 1/20 0.48
HTR6 P50406 1/20 0.48

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
SCHEMBL108180 0.88 CASR (0.58) CASRTNFNOD1ALDH1A1TDP1
SCHEMBL16730377 0.86 CASR (0.57) CASRTNFNOD1ALDH1A1TDP1
SCHEMBL7544923 0.84 CASR (0.64) CASRTNFNOD1ALDH1A1TDP1
SCHEMBL21706357 0.81 CASR (0.53) CASRTNFNOD1FBP1
SCHEMBL12545796 0.81 CASR (0.53) CASRTNFNOD1FBP1L3MBTL1
SCHEMBL24496148 0.81 CASR (0.53) CASRTNFNOD1ALDH1A1TDP1
SCHEMBL5720317 0.81 CASR (0.51) CASRALDH1A1TDP1ADRA2AFBP1
SCHEMBL9037002 0.80 THRB (0.51) CASRTNFNOD1ALDH1A1TDP1
SCHEMBL1417435 0.80 CASR (0.51) CASRTNFNOD1ALDH1A1TDP1
SCHEMBL9052764 0.80 CASR (0.51) CASRTNFNOD1ALDH1A1TDP1

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 23 patents — showing the first 20. 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
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-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
WO-2008097165-A1 PROCESS FOR PREPARATION OF A STABLE DISPERSION OF SOLID AMORPHOUS SUBMICRON PARTICLES IN AN AQUEOUS MEDIUM ASTRAZENECA AB (SE) 2008-08-14 WO 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-20080106781-A1 LIGAND EXCHANGE THERMOCHROMIC SYSTEMS CONTAINING EXCHANGE METALS 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
WO-2008028128-A1 LIGAND EXCHANGE THERMOCHROMIC, (LETC), SYSTEMS PLEOTINT, L.L.C. (US) 2008-03-06 WO disclosed