SCHEMBL28764573

SCHEMBL28764573

NC(=O)Oc1cccc(-c2ccc(O)nc2)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
CHEK2 O96017 2/20 0.43
FYN P06241 2/20 0.41
MAP4K4 O95819 2/20 0.41
CHEK1 O14757 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40
HSD17B1 P14061 2/20 0.40
HSD17B2 P37059 2/20 0.40
RXRA P19793 2/20 0.38
RXRB P28702 2/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
ALOX5 P09917 1/20 0.37

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
SCHEMBL30545116 0.77 MEN1 (0.70) MEN1KMT2AALOX5
SCHEMBL22557901 0.77 MEN1 (0.70) MEN1KMT2AALOX5
SCHEMBL3663216 0.77 CCNT1 (0.56) CHEK2FYNCHEK1EGLN1HSD17B1
SCHEMBL28723831 0.76 KMT2A (0.45) MEN1KMT2AMKNK1MKNK2
SCHEMBL982016 0.73 MAP4K4 (0.68) MEN1MAP4K4HSD17B1HSD17B2MKNK1
SCHEMBL27484485 0.72 MEN1 (0.61) MEN1KMT2ARXRARXRB
SCHEMBL22347922 0.72 RXRA (0.64) MEN1KMT2ARXRARXRB
SCHEMBL16512756 0.71 ESR2 (0.60) CHEK2FYNMAP4K4EGLN1HSD17B1
SCHEMBL3641396 0.70 MEN1 (0.76) MEN1KMT2A
SCHEMBL4457917 0.70 MEN1 (0.53) MEN1KMT2ACHEK2

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
CN-108350028-B Peptide macrocycles against Acinetobacter baumannii 豪夫迈·罗氏有限公司 2021-12-07 CN disclosed