SCHEMBL5298301

SCHEMBL5298301

CCCCCCCCCc1n(C(C)C)cc[n+]1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 7/20 0.37
NPC1 O15118 7/20 0.37
RAB9A P51151 7/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
MAPT P10636 3/20 0.37
MAPK1 P28482 3/20 0.37
NPSR1 Q6W5P4 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HSP90AA1 P07900 2/20 0.37
APAF1 O14727 1/20 0.37
PLA2G1B P04054 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
KCNH2 Q12809 2/20 0.36
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
LMNA P02545 3/20 0.33

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
SCHEMBL5292059 1.00 HTT (0.37) HTTNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL5304338 1.00 HTT (0.37) HTTNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL5329113 1.00 HTT (0.37) HTTNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL5326067 1.00 HTT (0.37) HTTNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL5299263 1.00 HTT (0.37) HTTNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL5330685 1.00 HTT (0.37) HTTNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL5818289 1.00 HTT (0.37) HTTNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL5292843 1.00 HTT (0.37) HTTNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL5330270 1.00 HTT (0.37) HTTNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL5298435 1.00 HTT (0.37) HTTNPC1RAB9ASMN1; SMN2MAPT

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