SCHEMBL229631

SCHEMBL229631

Br[Ni]Br.CCn1cnc2ccccc21.CCn1cnc2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.61
CYP11B1 P15538 6/20 0.54
CYP11B2 P19099 6/20 0.54
TNF P01375 1/20 0.54
LMNA P02545 6/20 0.53
HTT P42858 6/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
FDPS P14324 1/20 0.51
MAPK1 P28482 2/20 0.50
TSHR P16473 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
PKM P14618 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
APAF1 O14727 1/20 0.49
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL226221 0.93 TDP1 (0.70) TDP1CYP11B1CYP11B2TNFLMNA
SCHEMBL230355 0.91 TDP1 (0.63) TDP1CYP11B1CYP11B2TNFLMNA
SCHEMBL2380384 0.84 TDP1 (0.65) TDP1CYP11B1CYP11B2TNFLMNA
SCHEMBL228899 0.82 TDP1 (0.62) TDP1CYP11B1CYP11B2TNFLMNA
Benzimidazole SCHEMBL10434506 0.79 TDP1 (0.53) TDP1CYP11B1CYP11B2TNFLMNA
SCHEMBL9450146 0.79 TDP1 (0.62) TDP1CYP11B1CYP11B2TNFLMNA
SCHEMBL230330 0.78 TDP1 (0.78) TDP1CYP11B1CYP11B2TNFLMNA
SCHEMBL6794361 0.77 TDP1 (0.76) TDP1CYP11B1CYP11B2TNFLMNA
SCHEMBL6442808 0.77 TDP1 (1.00) TDP1CYP11B1CYP11B2TNFLMNA
SCHEMBL30564238 0.77 TDP1 (0.76) TDP1CYP11B1CYP11B2TNFLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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