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Sugi Predict / Compounds / SCHEMBL22021739

SCHEMBL22021739

SCHEMBL22021739

Cc1ccc(CC(=S)NCCCCC(NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 5/20 0.56
▸ SIRT2 Q8IXJ6 2/20 0.51
▸ SIRT1 Q96EB6 2/20 0.51
▸ TGM2 P21980 1/20 0.51
▸ KMT2A Q03164 1/20 0.48
▸ TLR2 O60603 2/20 0.47
▸ MDM4 O15151 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ SIRT3 Q9NTG7 1/20 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
SCHEMBL22021738 0.91 MDM2 (0.56) MDM2SIRT2SIRT1KMT2ATLR2
SCHEMBL24193275 0.90 MDM2 (0.56) MDM2TGM2KMT2ATLR2MDM4
SCHEMBL31369490 0.87 MDM2 (0.63) MDM2TGM2TLR2MDM4TP53
SCHEMBL25728007 0.87 MDM2 (0.55) MDM2TGM2KMT2ATLR2
SCHEMBL8394368 0.85 KMT2A (0.54) MDM2SIRT2SIRT1KMT2ATLR2
SCHEMBL14071942 0.85 KMT2A (0.58) MDM2KMT2ATLR2MDM4TP53
SCHEMBL23056476 0.85 KMT2A (0.58) MDM2KMT2ATLR2MDM4TP53
SCHEMBL21963412 0.84 MDM2 (0.55) MDM2SIRT2SIRT1KMT2ATLR2
SCHEMBL24193189 0.84 MDM2 (0.55) MDM2SIRT2SIRT1KMT2ATLR2
SCHEMBL22444591 0.84 MDM2 (0.61) MDM2TLR2MDM4TP53

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-2020102348-A1 THIOAMIDE-CONTAINING COMPOSITIONS AND METHODS OF USE THEREOF DIMAGNO STEPHEN (US) 2020-05-22 — — WO disclosed
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