SCHEMBL2920232

SCHEMBL2920232

CCOS(=O)(=O)[O-].C[n+]1ccn(CCO)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
APAF1 O14727 1/20 0.42
NPC1 O15118 1/20 0.42
PLA2G1B P04054 1/20 0.42
HSP90AA1 P07900 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
FDPS P14324 2/20 0.37
LMNA P02545 1/20 0.33
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL14836262 0.88 SMN1; SMN2 (0.47) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
SCHEMBL2918365 0.87 SMN1; SMN2 (0.41) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
Sulfuric Acid SCHEMBL17273281 0.86 SMN1; SMN2 (0.46) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
SCHEMBL1617966 0.86 MEN1 (0.56) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
SCHEMBL295025 0.85 SMN1; SMN2 (0.39) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
SCHEMBL2923167 0.85 SMN1; SMN2 (0.45) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
Sulfuric Acid SCHEMBL2917936 0.85 SMN1; SMN2 (0.45) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
SCHEMBL2922213 0.84 MAPK1 (0.52) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
SCHEMBL23004506 0.83 MEN1 (0.66) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
SCHEMBL23004102 0.83 MEN1 (0.66) 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 7 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
EP-2223904-A2 Method for producing antistatic artificial stones for area-measured material Evonik Goldschmidt GmbH (DE) 2010-09-01 EP 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
EP-2093278-A1 Performance additive for improving the sprinkling characteristics of ionic fluids on solid surfaces Evonik Goldschmidt GmbH (DE) 2009-08-26 EP disclosed
EP-2087931-A2 Defoaming of ionic fluids Evonik Goldschmidt GmbH (DE) 2009-08-12 EP disclosed