SCHEMBL229852

SCHEMBL229852

CC(C)(c1nc2ccccc2[nH]1)c1nc2ccccc2[nH]1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.68
ALDH1A1 P00352 4/20 0.56
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
KDM4E B2RXH2 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
ABCB11 O95342 1/20 0.56
TP53 P04637 1/20 0.56
PKM P14618 1/20 0.56
HSD17B10 Q99714 1/20 0.56
TXN P10599 1/20 0.55
MASP2 O00187 1/20 0.52
MEN1 O00255 1/20 0.52
NUDT1 P36639 1/20 0.52
KMT2A Q03164 1/20 0.52
AOC3 Q16853 1/20 0.52
DDAH1 O94760 1/20 0.52
HDAC6 Q9UBN7 1/20 0.51
GAA P10253 1/20 0.48
POLB P06746 3/20 0.47

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
SCHEMBL846351 0.89 NPSR1 (0.66) NPSR1ALDH1A1NPC1RAB9AKDM4E
SCHEMBL30633367 0.89 NPSR1 (0.66) NPSR1ALDH1A1NPC1RAB9AKDM4E
SCHEMBL38661952 0.86 NPSR1 (0.61) NPSR1ALDH1A1NPC1RAB9AKDM4E
SCHEMBL19866370 0.86 NPSR1 (0.61) NPSR1ALDH1A1NPC1RAB9AKDM4E
SCHEMBL15294544 0.86 NPSR1 (0.61) NPSR1ALDH1A1NPC1RAB9AKDM4E
SCHEMBL6755353 0.86 NPSR1 (0.61) NPSR1ALDH1A1NPC1RAB9AKDM4E
SCHEMBL13049405 0.86 NPSR1 (0.72) NPSR1ALDH1A1NPC1RAB9AKDM4E
SCHEMBL20283848 0.83 NPSR1 (0.58) NPSR1ALDH1A1NPC1RAB9AKDM4E
SCHEMBL13073559 0.83 NPSR1 (0.58) NPSR1ALDH1A1NPC1RAB9AKDM4E
SCHEMBL19540740 0.83 NPSR1 (0.58) NPSR1ALDH1A1NPC1RAB9AKDM4E

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-20250083109-A1 Polymeric Composites Having Oriented Nanopores and Methods of Making the Same UNIV YALE (US) 2025-03-13 US disclosed
US-20190030490-A1 Polymeric Composites Having Oriented Nanopores and Methods of Making the Same UNIV YALE (US) 2019-01-31 US disclosed
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
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-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
WO-2008028128-A1 LIGAND EXCHANGE THERMOCHROMIC, (LETC), SYSTEMS PLEOTINT, L.L.C. (US) 2008-03-06 WO disclosed