SCHEMBL5283213

SCHEMBL5283213

CCCCCCCCc1n(CCC)cc[n+]1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.41
RAB9A P51151 7/20 0.41
HTT P42858 6/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
MAPK1 P28482 3/20 0.41
NPSR1 Q6W5P4 3/20 0.41
HSP90AA1 P07900 3/20 0.41
MAPT P10636 3/20 0.41
APAF1 O14727 1/20 0.41
PLA2G1B P04054 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
CA1 P00915 5/20 0.39
CA2 P00918 5/20 0.39
KCNH2 Q12809 1/20 0.37
EEF2K O00418 2/20 0.36
EEF2 P13639 2/20 0.36
PLK4 O00444 1/20 0.36
JAK2 O60674 1/20 0.36

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
SCHEMBL5811835 1.00 NPC1 (0.41) NPC1RAB9AHTTSMN1; SMN2MEN1
SCHEMBL5281868 1.00 NPC1 (0.41) NPC1RAB9AHTTSMN1; SMN2MEN1
SCHEMBL5811563 1.00 NPC1 (0.41) NPC1RAB9AHTTSMN1; SMN2MEN1
SCHEMBL5813342 1.00 NPC1 (0.41) NPC1RAB9AHTTSMN1; SMN2MEN1
SCHEMBL5811870 1.00 NPC1 (0.41) NPC1RAB9AHTTSMN1; SMN2MEN1
SCHEMBL5810757 1.00 NPC1 (0.41) NPC1RAB9AHTTSMN1; SMN2MEN1
SCHEMBL5815521 1.00 NPC1 (0.41) NPC1RAB9AHTTSMN1; SMN2MEN1
SCHEMBL5814220 1.00 NPC1 (0.41) NPC1RAB9AHTTSMN1; SMN2MEN1
SCHEMBL5810501 1.00 NPC1 (0.41) NPC1RAB9AHTTSMN1; SMN2MEN1
SCHEMBL5295289 1.00 NPC1 (0.41) NPC1RAB9AHTTSMN1; 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