SCHEMBL3960441

SCHEMBL3960441

CCCc1cccnc1Nc1ccccn1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.68
MEN1 O00255 1/20 0.47
MAPK10 P53779 1/20 0.47
GFER P55789 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
KDR P35968 1/20 0.41
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CXCR4 P61073 1/20 0.40
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CCNA1 P78396 1/20 0.39
CDK5 Q00535 1/20 0.39
DYRK1A Q13627 1/20 0.39
CDK5R1 Q15078 1/20 0.39

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
SCHEMBL16295065 0.88 GRM5 (0.55) GRM5MEN1MAPK10GFERKMT2A
SCHEMBL7985486 0.83 MAPK10 (0.61) GRM5MEN1MAPK10GFERKMT2A
SCHEMBL23799304 0.77 GRM5 (0.55) GRM5ALDH1A1HPGDSMN1; SMN2
SCHEMBL5582608 0.75 GRM5 (1.00) GRM5MEN1MAPK10GFERKMT2A
SCHEMBL23798616 0.75 GRM5 (0.54) GRM5ALDH1A1HPGDSMN1; SMN2
SCHEMBL5772959 0.75 GRM5 (0.58) GRM5MEN1MAPK10GFERKMT2A
SCHEMBL7985498 0.72 MEN1 (0.66) GRM5MEN1MAPK10GFERKMT2A
SCHEMBL13601937 0.72 GRM5 (0.51) GRM5ALDH1A1HPGDSMN1; SMN2CYP1A2
Alcohol SCHEMBL11701443 0.72 KMT2A (0.59) GRM5MEN1MAPK10GFERKMT2A
SCHEMBL23319547 0.72 GRM5 (0.54) GRM5MEN1MAPK10GFERKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2082005-A1 LIGAND EXCHANGE THERMOCHROMIC, (LETC), SYSTEMS Pleotint, L.L.C. (US) 2009-07-29 EP claimed
WO-2008028128-A1 LIGAND EXCHANGE THERMOCHROMIC, (LETC), SYSTEMS PLEOTINT, L.L.C. (US) 2008-03-06 WO claimed
US-8182718-B2 Ligand exchange thermochromic systems and high ε ligands for same PLEOTINT, L.L.C. (US) 2012-05-22 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