SCHEMBL28500260

SCHEMBL28500260

[N-]=[N+]=CC(=O)CCC(NC(=O)C(CCCNC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.47
▸ TLR2 O60603 3/20 0.46
▸ PTPN1 P18031 6/20 0.45
▸ MDM2 Q00987 5/20 0.44

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
SCHEMBL27093787 0.91 TLR2 (0.49) KMT2ATLR2PTPN1MDM2
SCHEMBL27093790 0.91 TLR2 (0.49) KMT2ATLR2PTPN1MDM2
SCHEMBL18452250 0.91 PTPN1 (0.45) KMT2ATLR2PTPN1
SCHEMBL18477094 0.91 PTPN1 (0.45) KMT2ATLR2PTPN1
SCHEMBL22347004 0.88 MDM4 (0.52) KMT2ATLR2MDM2
SCHEMBL22347005 0.88 MDM4 (0.52) KMT2ATLR2MDM2
SCHEMBL29938558 0.88 MDM4 (0.52) KMT2ATLR2MDM2
SCHEMBL30919299 0.87 PTPN1 (0.52) KMT2ATLR2PTPN1
SCHEMBL25356641 0.87 KMT2A (0.55) KMT2ATLR2MDM2
SCHEMBL13401519 0.87 KMT2A (0.55) KMT2ATLR2MDM2

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-112920092-A Prodrugs of glutamine analogs 约翰霍普金斯大学 2021-06-08 — — CN disclosed
CN-108290827-B Prodrugs of glutamine analogs 约翰霍普金斯大学 2021-01-01 — — CN disclosed
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