SCHEMBL3015802

SCHEMBL3015802

C[n+]1ccn(CCO)c1.Cl[Al-](Cl)(Cl)Cl

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 1/20 0.49
APAF1 O14727 1/20 0.49
NPC1 O15118 1/20 0.49
PLA2G1B P04054 1/20 0.49
HSP90AA1 P07900 1/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ATG4B Q9Y4P1 1/20 0.49
FDPS P14324 2/20 0.38
LMNA P02545 1/20 0.36
PON1 P27169 1/20 0.31

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
SCHEMBL718979 0.92
Bromide SCHEMBL571801 0.90 SMN1; SMN2 (0.58) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
Iodide SCHEMBL2922211 0.90 SMN1; SMN2 (0.53) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
SCHEMBL30070818 0.90 SMN1; SMN2 (0.53) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
Hydrochloric Acid SCHEMBL1048130 0.90 SMN1; SMN2 (0.53) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
SCHEMBL4264311 0.89 SMN1; SMN2 (0.49) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
Hydrochloric Acid SCHEMBL29904696 0.88 SMN1; SMN2 (0.52) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
SCHEMBL925726 0.85 SMN1; SMN2 (0.49) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
SCHEMBL15732335 0.82 SMN1; SMN2 (0.59) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
Glycolic Acid SCHEMBL2919958 0.81 SMN1; SMN2 (0.46) SMN1; SMN2MEN1APAF1NPC1PLA2G1B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362095-B2 Defoaming of ionic liquids EVONIK GOLDSCHMIDT GMBH (DE) 2013-01-29 US disclosed
US-20100192814-A1 PROCESS FOR PRODUCING ANTISTATICALLY TREATED ARTIFICIAL STONE FOR FLAT STRUCTURES EVONIK GOLDSCHMIDT GMBH (DE) 2010-08-05 US disclosed
US-20100084597-A1 DEFOAMING OF IONIC LIQUIDS EVONIK DEGUSSA GMBH (DE) 2010-04-08 US disclosed
US-20100029519-A1 PERFORMANCE ADDITIVES FOR IMPROVING THE WETTING PROPERTIES OF IONIC LIQUIDS ON SOLID SURFACES EVONIK DEGUSSA GMBH (DE) 2010-02-04 US disclosed