SCHEMBL935211

SCHEMBL935211

C1CNCCNCCCNCCNC1.C1CNCCNCCNCCN1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 9/20 1.00
SMN1; SMN2 Q16637 1/20 1.00
HIF1A Q16665 1/20 0.67
MAPT P10636 1/20 0.67
PDE4A P27815 1/20 0.67
KDR P35968 1/20 0.67
ALDH1A1 P00352 1/20 0.64
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
CYP2C9 P11712 1/20 0.40
MEN1 O00255 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
ADRA2C P18825 1/20 0.35
CCR2 P41597 1/20 0.35
CXCL12 P48061 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL4287153 1.00 CXCR4 (1.00) CXCR4SMN1; SMN2HIF1AMAPTPDE4A
SCHEMBL22199 1.00 CXCR4 (1.00) CXCR4SMN1; SMN2HIF1AMAPTPDE4A
Piperazine SCHEMBL3769649 1.00 CXCR4 (1.00) CXCR4SMN1; SMN2HIF1AMAPTPDE4A
SCHEMBL33477 1.00 CXCR4 (1.00) CXCR4SMN1; SMN2HIF1AMAPTPDE4A
SCHEMBL8503965 1.00 CXCR4 (1.00) CXCR4SMN1; SMN2HIF1AMAPTPDE4A
SCHEMBL3998680 1.00 CXCR4 (1.00) CXCR4SMN1; SMN2HIF1AMAPTPDE4A
SCHEMBL18585750 1.00 CXCR4 (1.00) CXCR4SMN1; SMN2HIF1AMAPTPDE4A
SCHEMBL576838 1.00 CXCR4 (1.00) CXCR4SMN1; SMN2HIF1AMAPTPDE4A
SCHEMBL9947670 1.00 CXCR4 (1.00) CXCR4SMN1; SMN2HIF1AMAPTPDE4A
SCHEMBL577659 1.00 CXCR4 (1.00) CXCR4SMN1; SMN2HIF1AMAPTPDE4A

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
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
EP-1080067-A1 BIODEGRADABLE CORROSION INHIBITORS THE ASSOCIATED OCTEL COMPANY LIMITED (GB) 2001-03-07 EP disclosed
WO-1999059958-A1 BIODEGRADABLE CORROSION INHIBITORS THE ASSOCIATED OCTEL COMPANY LIMITED (GB) 1999-11-25 WO disclosed