SCHEMBL4582953

SCHEMBL4582953

CN(N=Cc1n(C)c2ccccc2[n+]1CCCCCCn1cc[n+](C)c1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.36
▸ APAF1 O14727 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ PLA2G1B P04054 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ ATG4B Q9Y4P1 1/20 0.36
▸ ALOX15 P16050 2/20 0.31

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
SCHEMBL13717260 1.00 MEN1 (0.36) MEN1APAF1NPC1PLA2G1BHSP90AA1
Hydrochloric Acid SCHEMBL3938795 0.99 MEN1 (0.35) MEN1APAF1NPC1PLA2G1BHSP90AA1
Hydrochloric Acid SCHEMBL3938798 0.99 MEN1 (0.35) MEN1APAF1NPC1PLA2G1BHSP90AA1
Hydrochloric Acid SCHEMBL3938803 0.99 MEN1 (0.35) MEN1APAF1NPC1PLA2G1BHSP90AA1
SCHEMBL2924164 0.86 MAPT (0.37) MEN1NPC1MAPTMAPK1HTT
SCHEMBL2924163 0.86 MAPT (0.37) MEN1NPC1MAPTMAPK1HTT
SCHEMBL4583551 0.85 — —
SCHEMBL4583553 0.85 — —
Bromide SCHEMBL2921153 0.85 MAPT (0.36) MEN1NPC1MAPTMAPK1HTT
Bromide SCHEMBL2923036 0.85 MAPT (0.36) MEN1NPC1MAPTMAPK1HTT

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
EP-1980558-A1 Polycationic monochromophoric compounds of hydrazone type, dyeing compositions comprising same and dyeing method L'Oréal (FR) 2008-10-15 — — EP disclosed
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