SCHEMBL5944547

SCHEMBL5944547

CC[N+]1(c2ccc(C)cc2)CCCC1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
MITF O75030 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ACHE P22303 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HRH3 Q9Y5N1 1/20 0.31
ALDH1A1 P00352 1/20 0.31
IDO1 P14902 1/20 0.30

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
SCHEMBL5944459 0.98 LMNA (0.40) LMNAMEN1NPC1MITFHTT
SCHEMBL5944598 0.83 LMNA (0.35) LMNAMEN1NPC1MITFHTT
SCHEMBL5944475 0.82 LMNA (0.38) LMNAMEN1NPC1MITFHTT
SCHEMBL5944500 0.80 HTT (0.33) LMNAMEN1NPC1MITFHTT
SCHEMBL5298667 0.80 CHRNA7 (0.38) LMNANPC1HTTKMT2AALDH1A1
SCHEMBL14216624 0.79 CHRNA7 (0.38) LMNAMEN1NPC1MITFHTT
SCHEMBL5944706 0.79 LMNA (0.36) LMNAMEN1NPC1MITFHTT
SCHEMBL5944673 0.79 L3MBTL1 (0.36) LMNAMEN1NPC1MITFHTT
Iodide SCHEMBL11575949 0.78 CHRNA7 (0.37) LMNAMEN1NPC1HTTKMT2A
SCHEMBL5944519 0.78 CHRNA7 (0.37) LMNANPC1HTTKMT2AALDH1A1

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-20060186419-A1 Light-emitting device KABUSHIKI KAISHA TOSHIBA (JP) 2006-08-24 US disclosed