SCHEMBL20142012

SCHEMBL20142012

Nc1ncnc2c1c(C(F)(F)F)nn2[C@H]1CC(O)[C@@H](CO)O1

nearest known ligand 0.73

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ATG7 O95352 20/20 0.73

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
SCHEMBL20141910 1.00 ATG7 (0.73) ATG7
SCHEMBL20141946 0.85 ATG7 (1.00) ATG7
SCHEMBL22758695 0.85 ATG7 (1.00) ATG7
SCHEMBL14038325 0.84 ATG7 (0.57) ATG7
SCHEMBL533179 0.84 ATG7 (0.71) ATG7
SCHEMBL20141774 0.84 ATG7 (0.71) ATG7
SCHEMBL13337873 0.84 ATG7 (0.71) ATG7
SCHEMBL2909424 0.84 ATG7 (0.71) ATG7
SCHEMBL20142486 0.84 ATG7 (0.71) ATG7
SCHEMBL12762314 0.83 ATG7 (0.54) 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