SCHEMBL230485

SCHEMBL230485

c1ccc(Cn2c(-c3ccccn3)nc3ccccc32)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.66
PDE6D O43924 1/20 0.66
ALDH2 P05091 1/20 0.66
ALDH3A1 P30838 1/20 0.66
KDM4E B2RXH2 3/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
CYP1A2 P05177 1/20 0.65
CYP2C9 P11712 1/20 0.65
CYP2C19 P33261 1/20 0.65
CTSD P07339 3/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
TNF P01375 1/20 0.59
BRD4 O60885 3/20 0.58
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
KCNK13 Q9HB14 1/20 0.57
GUSB P08236 1/20 0.57
TP53 P04637 2/20 0.57
HSD17B10 Q99714 2/20 0.56
HPGD P15428 1/20 0.56

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
SCHEMBL29411979 1.00 ALDH1A1 (0.66) ALDH1A1PDE6DALDH2ALDH3A1KDM4E
SCHEMBL29412135 0.87 L3MBTL1 (0.70) ALDH1A1KDM4ESMN1; SMN2CYP1A2CYP2C9
SCHEMBL28486406 0.87 L3MBTL1 (0.70) ALDH1A1KDM4ESMN1; SMN2CYP1A2CYP2C9
Hydrochloric Acid SCHEMBL7177021 0.87 ALDH1A1 (0.68) ALDH1A1PDE6DALDH2ALDH3A1KDM4E
Hydrochloric Acid SCHEMBL7185166 0.87 ALDH1A1 (0.68) ALDH1A1PDE6DALDH2ALDH3A1KDM4E
Hydrochloric Acid SCHEMBL7171218 0.87 ALDH1A1 (0.68) ALDH1A1PDE6DALDH2ALDH3A1KDM4E
Hydrochloric Acid SCHEMBL7179121 0.87 ALDH1A1 (0.68) ALDH1A1PDE6DALDH2ALDH3A1KDM4E
Hydrochloric Acid SCHEMBL7177527 0.87 ALDH1A1 (0.68) ALDH1A1PDE6DALDH2ALDH3A1KDM4E
Hydrochloric Acid SCHEMBL7175827 0.87 ALDH1A1 (0.68) ALDH1A1PDE6DALDH2ALDH3A1KDM4E
SCHEMBL7807909 0.86 KMT2A (0.62) ALDH1A1PDE6DALDH2ALDH3A1KDM4E

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 20 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
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