SCHEMBL30938286

SCHEMBL30938286

O=C(OC1CCNC1)N1CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 2/20 0.46
TPSD1 Q9BZJ3 2/20 0.46
TPSG1 Q9NRR2 2/20 0.46
CHRNB2 P17787 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA4 P43681 1/20 0.44
CHRNB3 Q05901 1/20 0.44
CHRNA6 Q15825 1/20 0.44
CA2 P00918 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA9 Q16790 1/20 0.38
ADAM10 O14672 2/20 0.38
KDM1A O60341 1/20 0.38
MMP2 P08253 1/20 0.38
CHKA P35790 1/20 0.37
HSD11B1 P28845 1/20 0.35
BCL9 O00512 3/20 0.34
CTNNB1 P35222 3/20 0.34
TLR9 Q9NR96 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
SCHEMBL17479229 0.91 TPSAB1 (0.52) TPSAB1TPSD1TPSG1CHRNB2CHRNA3
SCHEMBL29703407 0.88 TPSAB1 (0.45) TPSAB1TPSD1TPSG1CA2ADAM10
SCHEMBL29703400 0.88 TPSAB1 (0.45) TPSAB1TPSD1TPSG1CA2ADAM10
SCHEMBL28288403 0.88 TPSAB1 (0.45) TPSAB1TPSD1TPSG1CA2ADAM10
SCHEMBL17479093 0.87 TPSAB1 (0.44) TPSAB1TPSD1TPSG1CHRNB2CHRNA3
SCHEMBL28131722 0.83 TPSAB1 (0.39) TPSAB1TPSD1TPSG1CHRNB2CHRNA3
SCHEMBL28131011 0.83 TPSAB1 (0.39) TPSAB1TPSD1TPSG1CHRNB2CHRNA3
SCHEMBL951611 0.81 TPSAB1 (0.58) TPSAB1TPSD1TPSG1CHRNB2CHRNA3
SCHEMBL28796541 0.81 TPSAB1 (0.55) TPSAB1TPSD1TPSG1CHRNB2CHRNA3
SCHEMBL28067576 0.81 TPSAB1 (0.55) TPSAB1TPSD1TPSG1CHRNB2CHRNA3

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
CN-118076607-A Novel PLK1 degradation inducing compounds 厄普特拉株式会社 2024-05-24 CN disclosed