SCHEMBL5288554

SCHEMBL5288554

CCCCCCCCCCCCC[n+]1ccn(CCC)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
HSP90AA1 P07900 2/20 0.54
KMT2A Q03164 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
APAF1 O14727 1/20 0.51
NPC1 O15118 1/20 0.51
PLA2G1B P04054 1/20 0.51
MAPT P10636 1/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
RAB9A P51151 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
ATG4B Q9Y4P1 1/20 0.51
ABCB11 O95342 1/20 0.47
ESR1 P03372 1/20 0.47
PGR P06401 1/20 0.47
CHRM2 P08172 1/20 0.47
HTR1A P08908 1/20 0.47
ADRA2A P08913 1/20 0.47
ADORA3 P0DMS8 1/20 0.47

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
SCHEMBL5282928 1.00 MEN1 (0.54) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL5301568 1.00 MEN1 (0.54) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL5290111 1.00 MEN1 (0.54) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL5289993 1.00 MEN1 (0.54) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL5286003 1.00 MEN1 (0.54) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL5298507 1.00 MEN1 (0.54) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL5291547 1.00 MEN1 (0.54) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL5292001 1.00 MEN1 (0.54) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL961145 1.00 MEN1 (0.54) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL5288672 1.00 MEN1 (0.54) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1

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
WO-2007006418-A1 IONIC-LIQUID-CONTAINING PRODUCTS FOR DYEING AND/OR BRIGHTENING KERATIN FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-01-18 WO disclosed
WO-2006131234-A1 COSMETIC COMPOSITIONS COMPRISING IONIC LIQUIDS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-12-14 WO disclosed