SCHEMBL28565899

SCHEMBL28565899

COC(=O)C(C)NC(=O)C(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MDM4 O15151 2/20 0.47
TP53 P04637 2/20 0.47
KMT2A Q03164 1/20 0.44
CASP3 P42574 3/20 0.43
PTPN1 P18031 3/20 0.42
KIF11 P52732 1/20 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
SCHEMBL28565897 1.00 MDM4 (0.47) MDM4TP53KMT2ACASP3PTPN1
SCHEMBL17446817 1.00 MDM4 (0.47) MDM4TP53KMT2ACASP3PTPN1
SCHEMBL3212833 0.91 MDM4 (0.52) MDM4TP53KMT2ACASP3KIF11
SCHEMBL12744189 0.91 MDM4 (0.52) MDM4TP53KMT2ACASP3KIF11
SCHEMBL29715771 0.91 PTPN1 (0.46) MDM4TP53KMT2APTPN1
SCHEMBL17446656 0.91 PTPN1 (0.46) MDM4TP53KMT2APTPN1
SCHEMBL20545940 0.90 MDM4 (0.45) MDM4TP53KMT2ACASP3PTPN1
SCHEMBL3661858 0.89 MDM4 (0.47) MDM4TP53KMT2ACASP3PTPN1
SCHEMBL29579138 0.88 MDM4 (0.49) MDM4TP53KMT2ACASP3
SCHEMBL30805690 0.87 MDM4 (0.49) MDM4TP53CASP3PTPN1

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