SCHEMBL27093790

SCHEMBL27093790

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

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 2/20 0.49
▸ MDM4 O15151 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ PTPN1 P18031 6/20 0.47
▸ CASP3 P42574 2/20 0.46
▸ MDM2 Q00987 4/20 0.46
▸ KMT2A Q03164 1/20 0.45

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 1.00 TLR2 (0.49) TLR2MDM4TP53PTPN1CASP3
SCHEMBL22347005 0.96 MDM4 (0.52) TLR2MDM4TP53CASP3MDM2
SCHEMBL29938558 0.96 MDM4 (0.52) TLR2MDM4TP53CASP3MDM2
SCHEMBL22347004 0.96 MDM4 (0.52) TLR2MDM4TP53CASP3MDM2
SCHEMBL27093858 0.93 PTPN1 (0.52) TLR2MDM4TP53PTPN1CASP3
SCHEMBL27093852 0.93 PTPN1 (0.52) TLR2MDM4TP53PTPN1CASP3
SCHEMBL28500260 0.91 KMT2A (0.47) TLR2PTPN1MDM2KMT2A
SCHEMBL30919299 0.91 PTPN1 (0.52) TLR2MDM4TP53PTPN1KMT2A
SCHEMBL30919289 0.90 PTPN1 (0.45) TLR2PTPN1CASP3
SCHEMBL30919311 0.89 PTPN1 (0.46) TLR2PTPN1

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
WO-2024097320-A1 AZOTOMYCIN PRODRUGS WITH PREFERENTIAL TUMOR DELIVERY THE JOHNS HOPKINS UNIVERSITY (US) 2024-05-10 — — WO disclosed
EP-4322961-A1 DENDRIMER-GLUTAMINE ANTAGONIST CONJUGATES AND METHODS OF USE THEREOF The Johns Hopkins University (US) 2024-02-21 — — EP disclosed
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