SCHEMBL5286349

SCHEMBL5286349

CCCCCCCCCCCCCCCCCCc1n(CC)cc[n+]1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 6/20 0.39
NPC1 O15118 6/20 0.39
RAB9A P51151 6/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPK1 P28482 3/20 0.39
NPSR1 Q6W5P4 3/20 0.39
MAPT P10636 3/20 0.39
HSP90AA1 P07900 2/20 0.39
APAF1 O14727 1/20 0.39
PLA2G1B P04054 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
KCNH2 Q12809 5/20 0.38
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
LMNA P02545 3/20 0.35
HPGD P15428 1/20 0.35
EEF2K O00418 2/20 0.34
EEF2 P13639 2/20 0.34

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
SCHEMBL5304203 1.00 HTT (0.39) HTTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL5815544 1.00 HTT (0.39) HTTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL5817009 1.00 HTT (0.39) HTTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL5305254 1.00 HTT (0.39) HTTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL5286847 1.00 HTT (0.39) HTTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL5305553 1.00 HTT (0.39) HTTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL5814161 1.00 HTT (0.39) HTTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL5304430 1.00 HTT (0.39) HTTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL5291240 1.00 HTT (0.39) HTTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL5293506 1.00 HTT (0.39) HTTNPC1RAB9ASMN1; SMN2MEN1

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