SCHEMBL5301127

SCHEMBL5301127

CCCCCCCCCCCCCCCCCCCn1cc[n+](CCC)c1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.62
HSP90AA1 P07900 2/20 0.62
KMT2A Q03164 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
APAF1 O14727 1/20 0.61
NPC1 O15118 1/20 0.61
PLA2G1B P04054 1/20 0.61
MAPT P10636 1/20 0.61
MAPK1 P28482 1/20 0.61
HTT P42858 1/20 0.61
RAB9A P51151 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
ATG4B Q9Y4P1 1/20 0.61
FDPS P14324 17/20 0.52

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
SCHEMBL5288264 1.00 MEN1 (0.62) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL961144 1.00 MEN1 (0.62) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL4266804 1.00 MEN1 (0.62) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL5284351 1.00 MEN1 (0.62) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL5286011 1.00 MEN1 (0.62) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL5289982 1.00 MEN1 (0.62) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL5291994 1.00 MEN1 (0.62) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL5290107 1.00 MEN1 (0.62) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL5288678 1.00 MEN1 (0.62) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL5282927 1.00 MEN1 (0.62) 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