SCHEMBL14280431

SCHEMBL14280431

CC1(C)C(/C=C/c2ccc(N3CCCC3)cc2)=[N+](Cc2cccc3ccccc23)c2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.61
APP P05067 3/20 0.61
SNCA P37840 1/20 0.37
ACHE P22303 4/20 0.35
GFER P55789 1/20 0.34
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HTT P42858 2/20 0.32
TP53 P04637 1/20 0.32
OPRK1 P41145 1/20 0.32
LMNA P02545 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
ALDH1A1 P00352 1/20 0.32
PTGS2 P35354 1/20 0.32
NPC1 O15118 1/20 0.32
USP2 O75604 1/20 0.32
S1PR2 O95136 1/20 0.32
POLB P06746 1/20 0.32
ALPG P10696 1/20 0.32

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
SCHEMBL14280437 0.89 MAPT (0.49) MAPTAPPSNCAACHEGFER
SCHEMBL13672216 0.81 MAPT (0.71) MAPTAPPSNCAACHEMEN1
SCHEMBL14280421 0.81 MAPT (0.51) MAPTAPPKDM4EHTTLMNA
SCHEMBL14280430 0.81 MAPT (0.65) MAPTAPPSNCAMEN1KMT2A
Iodide SCHEMBL6670545 0.80 MAPT (0.66) MAPTAPPSNCAACHEMEN1
Iodide SCHEMBL6673113 0.79 MAPT (0.63) MAPTAPPSNCAACHEMEN1
Iodide SCHEMBL6673118 0.79 MAPT (0.63) MAPTAPPSNCAACHEMEN1
SCHEMBL14280436 0.77 MAPT (0.47) MAPTAPPSNCAACHEMEN1
SCHEMBL13672219 0.77 MAPT (0.51) MAPTAPPSNCAACHEMEN1
SCHEMBL13235687 0.77 MAPT (1.00) MAPTAPPSNCAACHEMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7316890-B2 Indolestyryl compound for use in recording media and method for fabrication thereof INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2008-01-08 US disclosed