SCHEMBL14747118

SCHEMBL14747118

O=C(Nc1c(O)c2ccc(O)cc2oc1=O)c1ccc[nH]1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MAP1LC3B Q9GZQ8 20/20 0.55
▸ MAP1LC3A Q9H492 20/20 0.55

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
SCHEMBL14744294 0.82 MAP1LC3B (0.77) MAP1LC3BMAP1LC3A
SCHEMBL19019866 0.71 MAP1LC3B (1.00) MAP1LC3BMAP1LC3A
SCHEMBL14743570 0.70 MAP1LC3B (0.69) MAP1LC3BMAP1LC3A
SCHEMBL8490397 0.69 NQO1 (0.69) —
SCHEMBL31312649 0.65 HSD17B3 (0.80) —
Iodomethane SCHEMBL8494114 0.65 HSD17B3 (0.64) —
SCHEMBL29738721 0.65 NQO1 (0.63) —
SCHEMBL3457273 0.65 NQO1 (0.63) —
SCHEMBL9278433 0.65 NQO1 (0.58) —
SCHEMBL8496746 0.64 HSD17B3 (0.54) —

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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