SCHEMBL5296950

SCHEMBL5296950

CCCCCc1n(CC)cc[n+]1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 7/20 0.36
NPC1 O15118 7/20 0.36
RAB9A P51151 7/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
MAPK1 P28482 3/20 0.36
NPSR1 Q6W5P4 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HSP90AA1 P07900 2/20 0.36
MAPT P10636 2/20 0.36
APAF1 O14727 1/20 0.36
PLA2G1B P04054 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
LMNA P02545 4/20 0.36
HPGD P15428 1/20 0.36
KCNH2 Q12809 1/20 0.35
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
EEF2K O00418 2/20 0.32
EEF2 P13639 2/20 0.32

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
SCHEMBL5293506 0.98 HTT (0.39) HTTNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL5304203 0.98 HTT (0.39) HTTNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL5305553 0.98 HTT (0.39) HTTNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL5286847 0.98 HTT (0.39) HTTNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL5286349 0.98 HTT (0.39) HTTNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL5305254 0.98 HTT (0.39) HTTNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL5815544 0.98 HTT (0.39) HTTNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL5291240 0.98 HTT (0.39) HTTNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL5304430 0.98 HTT (0.39) HTTNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL5814161 0.98 HTT (0.39) HTTNPC1RAB9ASMN1; SMN2MAPK1

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