SCHEMBL20142034

SCHEMBL20142034

COS(=O)(=O)N[C@@H]1O[C@@H](n2nc(C)c3c(N)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ATG7 O95352 19/20 0.61
▸ ADK P55263 1/20 0.48

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
SCHEMBL20142202 0.88 ATG7 (0.63) ATG7ADK
SCHEMBL20141736 0.88 ATG7 (0.62) ATG7ADK
SCHEMBL20141658 0.83 ATG7 (0.68) ATG7
SCHEMBL20142826 0.82 ATG7 (0.46) ATG7
SCHEMBL20141901 0.76 ATG7 (1.00) ATG7
SCHEMBL20141963 0.74 ADK (0.77) ATG7ADK
SCHEMBL20141562 0.74 ADK (0.77) ATG7ADK
SCHEMBL25296572 0.72 CA2 (0.62) ADK
SCHEMBL19547898 0.71 CA2 (0.49) ADK
SCHEMBL20141727 0.71 ATG7 (0.50) ATG7

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
WO-2018089786-A1 ATG7 INHIBITORS AND THE USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2018-05-17 — — WO disclosed
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