SCHEMBL21363178

SCHEMBL21363178

CO[C@@H]1[C@@H](OC(N)O)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4cccc(-c5ccc(N=O)cc5)c4)c(=O)oc3c2C)OC1(C)C

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAP1LC3B Q9GZQ8 2/20 0.58
MAP1LC3A Q9H492 2/20 0.58
HSP90AB1 P08238 3/20 0.57
HSP90AA1 P07900 2/20 0.57
POLQ O75417 1/20 0.57
ALB P02768 1/20 0.57
KDR P35968 1/20 0.57
ABCG2 Q9UNQ0 1/20 0.57
LMNA P02545 1/20 0.56
KDM4E B2RXH2 1/20 0.50
ELAVL1 Q15717 1/20 0.50

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
SCHEMBL21363195 0.91 MAP1LC3B (0.60) MAP1LC3BMAP1LC3AHSP90AB1HSP90AA1POLQ
SCHEMBL21363253 0.91 HSP90AB1 (0.69) MAP1LC3BMAP1LC3AHSP90AB1HSP90AA1POLQ
SCHEMBL21363251 0.91 MAP1LC3B (0.61) MAP1LC3BMAP1LC3AHSP90AB1HSP90AA1POLQ
SCHEMBL21363008 0.90 MAP1LC3B (0.56) MAP1LC3BMAP1LC3AHSP90AB1HSP90AA1POLQ
SCHEMBL21363263 0.90 MAP1LC3B (0.60) MAP1LC3BMAP1LC3AHSP90AB1HSP90AA1POLQ
SCHEMBL21363036 0.90 MAP1LC3B (0.58) MAP1LC3BMAP1LC3AHSP90AB1HSP90AA1POLQ
SCHEMBL21363112 0.89 MAP1LC3B (0.58) MAP1LC3BMAP1LC3AHSP90AB1HSP90AA1POLQ
SCHEMBL21363281 0.89 MAP1LC3B (0.58) MAP1LC3BMAP1LC3AHSP90AB1HSP90AA1POLQ
SCHEMBL25907804 0.88 MAP1LC3B (0.58) MAP1LC3BMAP1LC3AHSP90AB1HSP90AA1POLQ
SCHEMBL21363006 0.88 MAP1LC3B (0.59) MAP1LC3BMAP1LC3AHSP90AB1HSP90AA1POLQ

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-2019178119-A1 AMINOCOUMARIN COMPOUNDS AND METHODS OF THEIR USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2019-09-19 WO disclosed