SCHEMBL230375

SCHEMBL230375

Cc1ccc2c(c1)nc1n2CCCS1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
MAPT P10636 3/20 0.48
LMNA P02545 1/20 0.48
PIK3CA P42336 3/20 0.45
PIK3CB P42338 3/20 0.45
PIK3CG P48736 3/20 0.45
CYP2C9 P11712 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 1/20 0.44
HIF1A Q16665 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 2/20 0.40
HTR3A P46098 2/20 0.40
HPGD P15428 2/20 0.38
PIK3CD O00329 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HSD17B10 Q99714 1/20 0.38
HTR3E A5X5Y0 1/20 0.37

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
SCHEMBL29721715 0.92 ALDH1A1 (0.48) ALDH1A1MAPTLMNAPIK3CAPIK3CB
SCHEMBL16327993 0.88 ALDH1A1 (0.48) ALDH1A1MAPTLMNACYP2C9CYP1A2
SCHEMBL11675030 0.81 ALDH1A1 (0.47) ALDH1A1MAPTLMNACYP2C9CYP1A2
SCHEMBL16327972 0.79 ALDH1A1 (0.46) ALDH1A1MAPTLMNACYP2C9CYP1A2
Hydrochloric Acid SCHEMBL11675173 0.79 ALDH1A1 (0.46) ALDH1A1MAPTLMNACYP2C9CYP1A2
SCHEMBL11675438 0.77 ALDH1A1 (0.65) ALDH1A1MAPTLMNACYP2C9CYP1A2
Hydrochloric Acid SCHEMBL11675004 0.76 ALDH1A1 (0.63) ALDH1A1MAPTLMNACYP2C9CYP1A2
Hydrochloric Acid SCHEMBL11675884 0.75 ALDH1A1 (0.41) ALDH1A1MAPTLMNACYP2C9CYP1A2
SCHEMBL3021566 0.74 SMN1; SMN2 (0.60) ALDH1A1MAPTLMNAPIK3CAPIK3CB
SCHEMBL29722013 0.74 SMN1; SMN2 (0.60) ALDH1A1MAPTLMNAPIK3CAPIK3CB

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