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SCHEMBL19696205

SCHEMBL19696205

C=C/C(=C\C)CN/C(=N\C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.31
▸ CTSK P43235 2/20 0.31
▸ MAOA P21397 1/20 0.31
▸ MAOB P27338 1/20 0.31
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 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
SCHEMBL27117990 0.81 MEN1 (0.47) MEN1GAAKMT2ATDP1CTSK
SCHEMBL24669254 0.80 TDP1 (0.34) MEN1GAAKMT2ATDP1CTSK
SCHEMBL6859236 0.80 TDP1 (0.34) MEN1GAAKMT2ATDP1CTSK
SCHEMBL10108124 0.80 MEN1 (0.37) MEN1GAAKMT2ATDP1CTSK
SCHEMBL9339358 0.80 MEN1 (0.37) MEN1GAAKMT2ATDP1CTSK
SCHEMBL9339360 0.80 MEN1 (0.37) MEN1GAAKMT2ATDP1CTSK
SCHEMBL12292244 0.80 TDP1 (0.36) MEN1GAAKMT2ATDP1CTSK
SCHEMBL13683700 0.80 TDP1 (0.36) MEN1GAAKMT2ATDP1CTSK
SCHEMBL23900875 0.80 ZDHHC20 (0.36) MEN1GAAKMT2ATDP1MAOA
SCHEMBL14598303 0.79 MAOA (0.47) MEN1GAAKMT2ATDP1CTSK

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-9839704-B2 Prosthetic compounds for labeling internalizing biomolecules DUKE UNIVERSITY (US) 2017-12-12 — — US disclosed