SCHEMBL5329865

SCHEMBL5329865

CCCCCCCCCCCCCCCCC(C)[n+]1ccn(CCCC)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
HSP90AA1 P07900 2/20 0.50
KMT2A Q03164 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
APAF1 O14727 1/20 0.50
NPC1 O15118 1/20 0.50
PLA2G1B P04054 1/20 0.50
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
RAB9A P51151 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ATG4B Q9Y4P1 1/20 0.50
FDPS P14324 17/20 0.39

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
SCHEMBL5333419 1.00 MEN1 (0.50) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL5333129 1.00 MEN1 (0.50) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL5332000 1.00 MEN1 (0.50) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL5328624 1.00 MEN1 (0.50) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL5331292 0.97 MEN1 (0.54) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL4063827 0.97 MEN1 (0.54) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL5328509 0.97 MEN1 (0.54) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL5323063 0.97 MEN1 (0.54) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL5288860 0.97 MEN1 (0.54) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL3990766 0.97 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 1 patent. 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