SCHEMBL28913051

SCHEMBL28913051

COC(=O)C(C)NC(=O)C(Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 12/20 0.49
▸ NMBR P28336 1/20 0.47
▸ MDM4 O15151 2/20 0.47
▸ TP53 P04637 2/20 0.47

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
SCHEMBL28913050 1.00 SIRT2 (0.49) SIRT2NMBRMDM4TP53
SCHEMBL29399601 1.00 SIRT2 (0.49) SIRT2NMBRMDM4TP53
SCHEMBL30468161 0.92 SIRT2 (0.55) SIRT2NMBRMDM4TP53
SCHEMBL29670271 0.89 MDM4 (0.49) SIRT2NMBRMDM4TP53
SCHEMBL29368020 0.88 MDM4 (0.54) SIRT2MDM4TP53
SCHEMBL1737899 0.88 MDM4 (0.54) SIRT2MDM4TP53
SCHEMBL30433831 0.88 MDM4 (0.54) SIRT2MDM4TP53
SCHEMBL12994493 0.88 MDM4 (0.54) SIRT2MDM4TP53
SCHEMBL13227674 0.88 MDM4 (0.54) SIRT2MDM4TP53
SCHEMBL30385679 0.88 MDM4 (0.49) SIRT2NMBRMDM4TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112851536-B Method for constructing amide bond by clicking pyrimidine condensing agent and application of method in amide and polypeptide synthesis 兰州大学 2022-02-25 — — CN disclosed
CN-112851536-A Method for constructing amide bond by clicking pyrimidine condensing agent and application of method in amide and polypeptide synthesis 兰州大学 2021-05-28 — — CN disclosed
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