SCHEMBL28044892

SCHEMBL28044892

NCc1ccc(NC(=O)C(N)Cc2ccccc2O)cc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PLG P00747 6/20 0.47
▸ KLK1 P06870 6/20 0.47
▸ KLK6 Q92876 6/20 0.47
▸ BACE1 P56817 2/20 0.46
▸ RUVBL1 Q9Y265 3/20 0.44
▸ HDAC8 Q9BY41 1/20 0.44
▸ KLKB1 P03952 3/20 0.43
▸ HIF1A Q16665 1/20 0.42
▸ LTA4H P09960 3/20 0.41

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
SCHEMBL28044895 0.87 HIF1A (0.50) BACE1RUVBL1HDAC8HIF1ALTA4H
SCHEMBL28176692 0.82 KMT2A (0.49) —
SCHEMBL28044792 0.81 NOS3 (0.45) —
SCHEMBL28044891 0.76 TSHR (0.54) —
SCHEMBL28056446 0.73 EGFR (0.52) —
SCHEMBL28044796 0.73 RECQL (0.48) PLGKLK1KLK6KLKB1HIF1A
SCHEMBL2642980 0.73 CA12 (0.57) PLGKLK1KLK6
SCHEMBL16993871 0.73 BACE1 (0.68) BACE1HDAC8
SCHEMBL11880637 0.73 BACE1 (0.68) BACE1HDAC8
SCHEMBL28044789 0.72 MEN1 (0.53) —

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105503642-B N replaces 2 (2 hydroxybenzyl) glycyl amine compounds and its preparation and use 湖南科技大学 2017-09-15 — — CN claimed
CN-105503642-A N-substituted-2-(2-hydroxybenzyl) glycine amide compound and preparing method and application thereof UNIV HUNAN SCI & TECHNOLOGY 2016-04-20 — — CN claimed
CN-105503642-B N replaces 2 (2 hydroxybenzyl) glycyl amine compounds and its preparation and use 湖南科技大学 2017-09-15 — — CN disclosed
CN-105503642-A N-substituted-2-(2-hydroxybenzyl) glycine amide compound and preparing method and application thereof UNIV HUNAN SCI & TECHNOLOGY 2016-04-20 — — CN disclosed
CN-105418531-A 2-aryl-3-acylamino-1,3-benzoxazine compound and preparation and application thereof UNIV HUNAN SCI & TECHNOLOGY 2016-03-23 — — CN disclosed
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