SCHEMBL934490

SCHEMBL934490

CCN(CC)CCNCCS

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.37
ESR1 P03372 1/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
LMNA P02545 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP2C19 P33261 3/20 0.36
CYP2C9 P11712 2/20 0.36
GAA P10253 1/20 0.32
USP2 O75604 1/20 0.32
HTT P42858 1/20 0.32
SIGMAR1 Q99720 2/20 0.32
SLC22A2 O15244 1/20 0.31
SLC22A1 O15245 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
ACHE P22303 1/20 0.31
MAPK1 P28482 1/20 0.31
KDM4E B2RXH2 1/20 0.30
CHEK1 O14757 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
SCHEMBL2608614 0.91 ESR1 (0.34) PAOXESR1KMT2AMEN1LMNA
SCHEMBL229973 0.87 PAOX (0.43) PAOXKMT2AMEN1LMNANPSR1
SCHEMBL11876620 0.86 PAOX (0.52) PAOXESR1KMT2AMEN1CYP2C19
SCHEMBL10713651 0.82 CYP2C9 (0.54) PAOXKMT2AMEN1LMNANPSR1
SCHEMBL7366067 0.79 PAOX (0.39) PAOXKMT2AMEN1LMNANPSR1
SCHEMBL11323396 0.79 PAOX (0.48) PAOXKMT2AMEN1LMNANPSR1
SCHEMBL18752921 0.78 ESR1 (0.32) ESR1CYP2C19CYP2C9
SCHEMBL7994712 0.77 PAOX (0.57) PAOXKMT2AMEN1LMNANPSR1
SCHEMBL14037056 0.77 PAOX (0.38) PAOXKMT2AMEN1LMNANPSR1
SCHEMBL8343447 0.77 CYP2C19 (0.46) PAOXKMT2AMEN1LMNANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021116712-A1 FUNCTIONALISED MICROBUBBLE MEDIATED CELL TAGGING OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2021-06-17 WO disclosed
EP-2453927-B1 LOADING TECHNIQUE FOR PREPARING RADIONUCLIDE AND IONOPHORE CONTAINING LIPOSOMES IN WHICH THE IONOPHORE IS 2-HYDROXYQUIONOLINE (CARBOSTYRIL) OR STRUCTURALLY RELATED 2-HYDROXYQUINOLINES UNIV DENMARK TECH DTU (DK) 2019-05-15 EP disclosed
EP-2651447-B1 ENTRAPMENT OF RADIONUCLIDES IN NANOPARTICLE COMPOSITIONS UNIV DENMARK TECH DTU (DK) 2018-08-29 EP disclosed
EP-2453927-A1 LOADING TECHNIQUE FOR PREPARING RADIONUCLIDE AND IONOPHORE CONTAINING LIPOSOMES IN WHICH THE IONOPHORE IS 2-HYDROXYQUIONOLINE (CARBOSTYRIL) OR STRUCTURALLY RELATED 2-HYDROXYQUINOLINES Technical University of Denmark (DK) 2012-05-23 EP disclosed
WO-2011006510-A1 LOADING TECHNIQUE FOR PREPARING RADIONUCLIDE AND IONOPHORE CONTAINING LIPOSOMES IN WHICH THE IONOPHORE IS 2-HYDROXYQUIONOLINE (CARBOSTYRIL) OR STRUCTURALLY RELATED 2-HYDROXYQUINOLINES TECHNICAL UNIVERSITY OF DENMARK (DK) 2011-01-20 WO disclosed