SCHEMBL5030028

SCHEMBL5030028

C1CCCNCCN(N2CCCNCCC2)CCCCCCNCCNCC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
CXCR4 P61073 9/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
CA2 P00918 1/20 0.39
CHKA P35790 1/20 0.39
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
USP2 O75604 1/20 0.38
MEN1 O00255 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
ADRA2C P18825 1/20 0.36
CCR2 P41597 1/20 0.36
CXCL12 P48061 1/20 0.36
BLM P54132 1/20 0.36
KMT2A Q03164 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
HRH1 P35367 1/20 0.34

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
SCHEMBL28481329 0.97 CXCR4 (0.45) ALDH1A1CXCR4SMN1; SMN2CA2CHKA
SCHEMBL2914797 0.95 ALDH1A1 (0.44) ALDH1A1CXCR4SMN1; SMN2CA2CHKA
SCHEMBL28441176 0.95 CXCR4 (0.44) ALDH1A1CXCR4SMN1; SMN2CA2CHKA
SCHEMBL2918689 0.92 CXCR4 (0.41) ALDH1A1CXCR4SMN1; SMN2CA2CHKA
SCHEMBL29095229 0.89 CXCR4 (0.53) ALDH1A1CXCR4SMN1; SMN2TDP1MEN1
SCHEMBL336574 0.89 CA2 (0.46) ALDH1A1CXCR4SMN1; SMN2CA2CHKA
SCHEMBL1997368 0.89 CXCR4 (0.42) ALDH1A1CXCR4SMN1; SMN2CA2CHKA
SCHEMBL3769647 0.89 CXCR4 (0.42) ALDH1A1CXCR4SMN1; SMN2CA2CHKA
SCHEMBL3995589 0.86 CXCR4 (0.47) ALDH1A1CXCR4SMN1; SMN2CA2CHKA
SCHEMBL2918481 0.86 CXCR4 (0.41) ALDH1A1CXCR4SMN1; SMN2CA2CHKA

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
EP-1610955-B1 IMAGE FORMING PROCESS AND INK SET THEREFOR RICOH KK (JP) 2008-10-08 EP disclosed