SCHEMBL14280429

SCHEMBL14280429

CC1(C)C(/C=C/c2ccc(N3CCCC3)cc2)=[N+](CS(=O)(=O)c2ccc(F)cc2)c2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.58
APP P05067 3/20 0.58
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SNCA P37840 1/20 0.36
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HTR2A P28223 1/20 0.34
KCNH2 Q12809 1/20 0.34
CYP2D6 P10635 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL14280430 0.85 MAPT (0.65) MAPTAPPCTSLCTSBMEN1
SCHEMBL13672216 0.79 MAPT (0.71) MAPTAPPMEN1LMNAKMT2A
Iodide SCHEMBL6670545 0.78 MAPT (0.66) MAPTAPPCTSLCTSBMEN1
Iodide SCHEMBL6673118 0.77 MAPT (0.63) MAPTAPPCTSLCTSBMEN1
Iodide SCHEMBL6673113 0.77 MAPT (0.63) MAPTAPPCTSLCTSBMEN1
SCHEMBL13235687 0.75 MAPT (1.00) MAPTAPPMEN1LMNAKMT2A
SCHEMBL14156349 0.74 MAPT (0.60) MAPTAPPMEN1LMNAKMT2A
SCHEMBL14280431 0.73 MAPT (0.61) MAPTAPPMEN1LMNAKMT2A
Iodide SCHEMBL28572938 0.73 MAPT (0.98) MAPTAPPMEN1LMNAKMT2A
Iodide SCHEMBL28579441 0.73 MAPT (0.98) MAPTAPPMEN1LMNAKMT2A

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