SCHEMBL20280485

SCHEMBL20280485

C[n+]1ccn(CCCNc2ccc(Nc3cc(Nc4ccc(NCCCn5cc[n+](C)c5)cc4)c(O)cc3N)cc2)c1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
APAF1 O14727 1/20 0.35
NPC1 O15118 1/20 0.35
PLA2G1B P04054 1/20 0.35
HSP90AA1 P07900 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35

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
SCHEMBL20280488 0.98 MEN1 (0.34) MEN1APAF1NPC1PLA2G1BHSP90AA1
SCHEMBL20288337 0.92 MEN1 (0.39) MEN1APAF1NPC1PLA2G1BHSP90AA1
SCHEMBL20267798 0.92 MEN1 (0.35) MEN1APAF1NPC1PLA2G1BHSP90AA1
SCHEMBL20267791 0.91 MAPT (0.36) MEN1APAF1NPC1PLA2G1BHSP90AA1
SCHEMBL20268996 0.91 MEN1 (0.40) MEN1APAF1NPC1PLA2G1BHSP90AA1
SCHEMBL20280302 0.90
SCHEMBL20280498 0.89 MEN1 (0.30) MEN1APAF1NPC1PLA2G1BHSP90AA1
SCHEMBL22102729 0.88 MAPT (0.36) MEN1APAF1NPC1PLA2G1BHSP90AA1
SCHEMBL22701347 0.87 MEN1 (0.32) MEN1APAF1NPC1PLA2G1BHSP90AA1
SCHEMBL20280682 0.84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3555069-B1 NOVEL AZOMETHINE DIRECT DYES BEARING AT LEAST ONE CATIONIC CHARGE, COSMETIC COMPOSITION COMPRISING AT LEAST ONE SUCH DYE, IMPLEMENTATION PROCESS THEREFOR AND USE THEREOF OREAL (FR) 2022-03-30 EP disclosed
WO-2018109192-A1 NOVEL AZOMETHINE DIRECT DYES BEARING AT LEAST ONE CATIONIC CHARGE, COSMETIC COMPOSITION COMPRISING AT LEAST ONE SUCH DYE, IMPLEMENTATION PROCESS THEREFOR AND USE THEREOF L'OREAL (FR) 2018-06-21 WO disclosed