SCHEMBL17366325

SCHEMBL17366325

CCCC[C@H](CN=O)N=O

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.34
DNM1 Q05193 2/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
FDPS P14324 1/20 0.33
MAPK1 P28482 1/20 0.32
CA1 P00915 2/20 0.31
ALDH1A1 P00352 2/20 0.30
TDP1 Q9NUW8 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
SCHEMBL24505633 1.00 CA2 (0.34) CA2DNM1TSHRSMN1; SMN2FDPS
SCHEMBL9063930 0.85
SCHEMBL7524174 0.85 CA2 (0.39) CA2DNM1TSHRSMN1; SMN2FDPS
SCHEMBL16588260 0.81
SCHEMBL10022171 0.80
SCHEMBL7529986 0.80 CA2 (0.45) CA2DNM1FDPSCA1
SCHEMBL15178203 0.80 CA2 (0.45) CA2DNM1FDPSCA1
SCHEMBL17225874 0.80 CA2 (0.37) CA2DNM1TSHRSMN1; SMN2FDPS
SCHEMBL16315511 0.80 CA2 (0.37) CA2DNM1TSHRSMN1; SMN2FDPS
SCHEMBL7868793 0.78 CA2 (0.48) CA2DNM1TSHRFDPSCA1

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-2960333-A1 COMPOSITION FOR INHIBITING GENE EXPRESSION AND USES THEREOF Idera Pharmaceuticals, Inc. (US) 2015-12-30 EP disclosed