SCHEMBL4424959

SCHEMBL4424959

CNCCCN(C)C1=NCCN1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 3/20 0.37
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
ADRA2A P08913 3/20 0.32
ADRA2B P18089 3/20 0.32
ADRA2C P18825 3/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
SYK P43405 1/20 0.31
NISCH Q9Y2I1 2/20 0.30
HTR1D P28221 1/20 0.30
PRMT3 O60678 1/20 0.30
CARM1 Q86X55 1/20 0.30
PRMT6 Q96LA8 1/20 0.30
PRMT1 Q99873 1/20 0.30
PRMT8 Q9NR22 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 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
SCHEMBL10144107 0.89 PRMT3 (0.37) CXCR4APOBEC3AAPOBEC3GADRA2AADRA2B
SCHEMBL17887696 0.84 NISCH (0.33) CXCR4NISCH
SCHEMBL17472347 0.79 CXCR4 (0.34) CXCR4APOBEC3AAPOBEC3GADRA2AADRA2B
SCHEMBL8143712 0.71
SCHEMBL14886904 0.69 HTR1D (0.46) CXCR4ADRA2AADRA2BADRA2CADRA1D
SCHEMBL17472339 0.68 CXCR4 (0.72) CXCR4APOBEC3AAPOBEC3GADRA2AADRA2B
SCHEMBL16922054 0.68
SCHEMBL16450713 0.67 PRMT3 (0.39) SYKPRMT3CARM1PRMT6PRMT1
SCHEMBL10144891 0.67
SCHEMBL3281539 0.66

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
WO-2009131246-A1 SORDARIN DERIVATIVES FOR PREVENTING OR TREATING INFECTIOUS DISEASES CAUSED BY PATHOGENIC MICROORGANISMS ASTELLAS PHARMA INC. (JP) 2009-10-29 WO disclosed