SCHEMBL20141727

SCHEMBL20141727

CCOc1nn([C@@H]2O[C@@H](NS(=O)(=O)OC)[C@@H]3OC(C)(C)O[C@H]32)c2ncnc(N)c12

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ATG7 O95352 19/20 0.50
▸ RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL20142826 0.88 ATG7 (0.46) ATG7RXFP1
SCHEMBL20141851 0.80 ATG7 (0.72) ATG7RXFP1
SCHEMBL20141925 0.79 PI4KA (0.57) ATG7RXFP1
SCHEMBL20142135 0.73 PI4KA (0.59) ATG7RXFP1
SCHEMBL20141769 0.72 ATG7 (0.71) ATG7RXFP1
SCHEMBL20142034 0.71 ATG7 (0.61) ATG7
SCHEMBL20142040 0.70 PI4KA (0.56) ATG7RXFP1
SCHEMBL20141770 0.70 ATG7 (0.51) ATG7RXFP1
SCHEMBL22778880 0.69 ATG7 (0.72) ATG7RXFP1
SCHEMBL20142322 0.69 ATG7 (0.70) ATG7RXFP1

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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