SCHEMBL5294758

SCHEMBL5294758

CCCCCCCCCCCCC[n+]1ccn(CCCC)c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.58
HSP90AA1 P07900 2/20 0.58
KMT2A Q03164 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
APAF1 O14727 1/20 0.56
NPC1 O15118 1/20 0.56
PLA2G1B P04054 1/20 0.56
MAPT P10636 1/20 0.56
MAPK1 P28482 1/20 0.56
HTT P42858 1/20 0.56
RAB9A P51151 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
ATG4B Q9Y4P1 1/20 0.56
FDPS P14324 11/20 0.49

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
SCHEMBL412476 1.00 MEN1 (0.58) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL5298378 1.00 MEN1 (0.58) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL413208 1.00 MEN1 (0.58) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL413479 1.00 MEN1 (0.58) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL5301732 1.00 MEN1 (0.58) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL4230960 1.00 MEN1 (0.58) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL5289867 1.00 MEN1 (0.58) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL5294132 1.00 MEN1 (0.58) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL5284441 1.00 MEN1 (0.58) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL407576 1.00 MEN1 (0.58) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020152206-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2020-07-30 WO disclosed
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