SCHEMBL2215261

SCHEMBL2215261

NCCCCCn1c(=O)cc[nH]c1=O

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HASPIN Q8TF76 2/20 0.47
DYRK2 Q92630 1/20 0.44
TYMP P19971 1/20 0.39
TDP1 Q9NUW8 13/20 0.38
RXRA P19793 2/20 0.38

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
SCHEMBL17371770 0.93 HASPIN (0.43) HASPINDYRK2TYMPTDP1RXRA
SCHEMBL2930015 0.85 HASPIN (0.35) HASPINDYRK2TYMPTDP1RXRA
SCHEMBL7181586 0.83 TYMP (0.39) HASPINDYRK2TYMPTDP1
SCHEMBL10981137 0.83 TYMP (0.39) HASPINDYRK2TYMPTDP1
SCHEMBL16990470 0.83 ADORA2A (0.46) TYMPTDP1
SCHEMBL4348692 0.81 ADRA1D (0.37) TYMP
SCHEMBL7099892 0.81 ADORA2A (0.47) TDP1
SCHEMBL24205164 0.80 TYMP (0.35) HASPINTYMP
SCHEMBL10598541 0.79 FABP4 (0.50) TYMP
SCHEMBL26034489 0.79 TYMP (0.36) HASPINDYRK2TYMPTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2342616-A2 CHEMICAL MODIFICATIONS OF MONOMERS AND OLIGONUCLEOTIDES WITH CYCLOADDITION Alnylam Pharmaceuticals Inc. (US) 2011-07-13 EP disclosed
WO-2010039548-A2 CHEMICAL MODIFICATIONS OF MONOMERS AND OLIGONUCLEOTIDES WITH CYCLOADDITION ALNYLAM PHARMACEUTICALS, INC. (US) 2010-04-08 WO disclosed