SCHEMBL22021738

SCHEMBL22021738

O=C(N[C@@H](CCCCNC(=S)Cc1ccc(I)cc1)C(=O)O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 5/20 0.56
▸ SIRT2 Q8IXJ6 1/20 0.49
▸ SIRT1 Q96EB6 1/20 0.49
▸ KMT2A Q03164 1/20 0.48
▸ TLR2 O60603 2/20 0.45
▸ MDM4 O15151 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ ALB P02768 2/20 0.44
▸ SIRT5 Q9NXA8 1/20 0.43

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
SCHEMBL21963412 0.93 MDM2 (0.55) MDM2SIRT2SIRT1KMT2ATLR2
SCHEMBL24193189 0.93 MDM2 (0.55) MDM2SIRT2SIRT1KMT2ATLR2
SCHEMBL22021739 0.91 MDM2 (0.56) MDM2SIRT2SIRT1KMT2ATLR2
SCHEMBL22021737 0.91 MDM2 (0.57) MDM2KMT2ATLR2MDM4TP53
SCHEMBL24193273 0.90 MDM2 (0.55) MDM2SIRT2SIRT1KMT2ATLR2
SCHEMBL31758278 0.87 ALB (0.62) MDM2KMT2ATLR2ALB
SCHEMBL260631 0.84 KMT2A (0.66) MDM2KMT2ATLR2MDM4TP53
SCHEMBL178698 0.84 KMT2A (0.66) MDM2KMT2ATLR2MDM4TP53
SCHEMBL178733 0.84 KMT2A (0.66) MDM2KMT2ATLR2MDM4TP53
SCHEMBL29528567 0.84 KMT2A (0.66) MDM2KMT2ATLR2MDM4TP53

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
Send feedback