SCHEMBL5290010

SCHEMBL5290010

CCCCc1n(CCC)cc[n+]1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.36
RAB9A P51151 7/20 0.36
HTT P42858 6/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
KMT2A Q03164 3/20 0.36
MAPK1 P28482 3/20 0.36
NPSR1 Q6W5P4 3/20 0.36
MEN1 O00255 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
HDAC8 Q9BY41 3/20 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
PLK4 O00444 1/20 0.32
JAK2 O60674 1/20 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
SCHEMBL5294006 0.95 NPC1 (0.39) NPC1RAB9AHTTSMN1; SMN2KMT2A
SCHEMBL5811870 0.93 NPC1 (0.41) NPC1RAB9AHTTSMN1; SMN2KMT2A
SCHEMBL5810501 0.93 NPC1 (0.41) NPC1RAB9AHTTSMN1; SMN2KMT2A
SCHEMBL5283213 0.93 NPC1 (0.41) NPC1RAB9AHTTSMN1; SMN2KMT2A
SCHEMBL5813342 0.93 NPC1 (0.41) NPC1RAB9AHTTSMN1; SMN2KMT2A
SCHEMBL5815521 0.93 NPC1 (0.41) NPC1RAB9AHTTSMN1; SMN2KMT2A
SCHEMBL5810757 0.93 NPC1 (0.41) NPC1RAB9AHTTSMN1; SMN2KMT2A
SCHEMBL5295289 0.93 NPC1 (0.41) NPC1RAB9AHTTSMN1; SMN2KMT2A
SCHEMBL5281868 0.93 NPC1 (0.41) NPC1RAB9AHTTSMN1; SMN2KMT2A
SCHEMBL5814220 0.93 NPC1 (0.41) NPC1RAB9AHTTSMN1; SMN2KMT2A

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