SCHEMBL24642387

SCHEMBL24642387

CCCN(CCC)CCCC[C@H](NC(=O)[C@@H](NC(=O)CCCC#Cc1cnc(O)nc1)C(C)C)C(=O)NCC(=O)O

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NMT2 O60551 2/20 0.33
▸ NMT1 P30419 2/20 0.33
▸ SIRT2 Q8IXJ6 1/20 0.33
▸ GLO1 Q04760 2/20 0.31
▸ FURIN P09958 1/20 0.31
▸ CTSL P07711 1/20 0.30
▸ NPY1R P25929 1/20 0.30
▸ EGLN1 Q9GZT9 1/20 0.30
▸ EGLN3 Q9H6Z9 1/20 0.30

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
SCHEMBL24642617 0.95 SIRT2 (0.36) NMT2NMT1SIRT2GLO1EGLN1
SCHEMBL24642507 0.93 NMT2 (0.33) NMT2NMT1SIRT2FURINCTSL
SCHEMBL24642530 0.93 NMT2 (0.34) NMT2NMT1SIRT2FURINCTSL
SCHEMBL24642508 0.91 NMT2 (0.34) NMT2NMT1SIRT2FURINCTSL
SCHEMBL24642668 0.90 NMT1 (0.41) NMT2NMT1GLO1FURINCTSL
SCHEMBL24642920 0.88 SIRT2 (0.34) NMT2NMT1SIRT2
SCHEMBL24642596 0.85 NMT2 (0.33) NMT2NMT1
SCHEMBL24642677 0.85 NMT2 (0.34) NMT2NMT1SIRT2FURINCTSL
SCHEMBL26504989 0.84 PRKACA (0.33) NMT2NMT1SIRT2
SCHEMBL31531931 0.83 FURIN (0.31) NMT2NMT1SIRT2FURIN

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-2022170971-A1 BIOACTIVE SUBSTANCE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF 苏州宜联生物医药有限公司 2022-08-18 — — WO disclosed
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