SCHEMBL13801528

SCHEMBL13801528

C=CCONCCNC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
EPHX1 P07099 1/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
CA12 O43570 5/20 0.39
CA1 P00915 5/20 0.39
CA2 P00918 5/20 0.39
CA9 Q16790 5/20 0.39
MALT1 Q9UDY8 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
BCHE P06276 1/20 0.36
ALDH1A1 P00352 2/20 0.35
GFER P55789 1/20 0.35
IDO1 P14902 1/20 0.35
ADRB2 P07550 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
SCHEMBL1276792 0.83 TDP1 (0.49) TDP1MEN1GAAKMT2AEPHX1
SCHEMBL13114987 0.79 TDP1 (0.47) TDP1MEN1GAAKMT2AEPHX1
SCHEMBL3341020 0.78 TDP1 (0.67) TDP1MEN1GAAKMT2AEPHX1
SCHEMBL360688 0.78 TDP1 (0.53) TDP1MEN1GAAKMT2AEPHX1
SCHEMBL3053229 0.78 SMN1; SMN2 (0.41) TDP1MEN1GAAKMT2AMAOA
SCHEMBL1276827 0.77 TDP1 (0.54) TDP1MEN1GAAKMT2AEPHX1
SCHEMBL4893443 0.77 TDP1 (0.49) TDP1MEN1GAAKMT2AEPHX1
SCHEMBL23728637 0.76 ADRB2 (0.47) TDP1MEN1GAAKMT2AEPHX1
SCHEMBL8843547 0.76 TDP1 (0.53) TDP1MEN1GAAKMT2AEPHX1
SCHEMBL21738506 0.76 SMN1; SMN2 (0.47) TDP1MEN1GAAKMT2AEPHX1

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
US-7544794-B1 Method for sequencing DNA and RNA by synthesis BENNER STEVEN ALBERT 2009-06-09 US disclosed