SCHEMBL14744294

SCHEMBL14744294

O=C(Nc1c(O)c2ccc(O)cc2oc1=O)c1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MAP1LC3B Q9GZQ8 19/20 0.77
▸ MAP1LC3A Q9H492 19/20 0.77
▸ TP53 P04637 1/20 0.61

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
SCHEMBL19019866 0.87 MAP1LC3B (1.00) MAP1LC3BMAP1LC3A
SCHEMBL14747118 0.82 MAP1LC3B (0.55) MAP1LC3BMAP1LC3A
SCHEMBL15388096 0.81 MAOB (0.64) MAP1LC3BMAP1LC3ATP53
SCHEMBL4819273 0.76 TP53 (1.00) TP53
SCHEMBL8490618 0.75 MAP1LC3B (0.53) MAP1LC3BMAP1LC3A
SCHEMBL14743570 0.74 MAP1LC3B (0.69) MAP1LC3BMAP1LC3A
SCHEMBL11478035 0.73 ERAP1 (0.74) —
SCHEMBL8490397 0.72 NQO1 (0.69) —
SCHEMBL8490540 0.72 NQO1 (0.52) MAP1LC3BMAP1LC3A
SCHEMBL28096263 0.71 HSD17B3 (0.63) —

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-2013029075-A1 MEANS AND METHOD FOR ALKYLATION TECHNISCHE UNIVERSITÄT GRAZ (AT) 2013-03-07 — — WO disclosed
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