SCHEMBL17706459

SCHEMBL17706459

CCCCCCn1cc(CC)[n+](C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.50
RAB9A P51151 7/20 0.50
HTT P42858 6/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
MAPK1 P28482 3/20 0.50
NPSR1 Q6W5P4 3/20 0.50
HSP90AA1 P07900 3/20 0.50
MAPT P10636 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
APAF1 O14727 1/20 0.50
PLA2G1B P04054 1/20 0.50
ATG4B Q9Y4P1 1/20 0.50
LMNA P02545 3/20 0.40
GALR3 O60755 2/20 0.40
POLB P06746 2/20 0.40
ATM Q13315 2/20 0.40
APOBEC3A P31941 2/20 0.40
APOBEC3G Q9HC16 2/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL17706424 0.93 NPC1 (0.41) NPC1RAB9AHTTSMN1; SMN2MAPK1
SCHEMBL17706460 0.88 NPC1 (0.49) NPC1RAB9AHTTSMN1; SMN2MAPK1
SCHEMBL17706421 0.80 NPC1 (0.40) NPC1RAB9AHTTSMN1; SMN2MAPK1
SCHEMBL17131207 0.80 NPC1 (0.51) NPC1RAB9AHTTSMN1; SMN2MAPK1
Hydrochloric Acid SCHEMBL30980128 0.79 NPC1 (0.39) NPC1RAB9AHTTSMN1; SMN2MAPK1
SCHEMBL17131205 0.78 NPC1 (0.49) NPC1RAB9AHTTSMN1; SMN2MAPK1
SCHEMBL17706491 0.76 NPC1 (0.47) NPC1RAB9AHTTSMN1; SMN2MAPK1
SCHEMBL17706469 0.76 NPC1 (0.47) NPC1RAB9AHTTSMN1; SMN2MAPK1
SCHEMBL17706489 0.76 NPC1 (0.47) NPC1RAB9AHTTSMN1; SMN2MAPK1
SCHEMBL531182 0.76 MEN1 (0.37) NPC1RAB9AHTTSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160118637-A1 POWER STORAGE DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD (JP) 2016-04-28 US disclosed