SCHEMBL20067932

SCHEMBL20067932

COc1ccc(NCc2cccc(NC(=O)CSc3nc(C)cc(C)n3)c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 13/20 0.64
▸ ALDH1A1 P00352 1/20 0.60
▸ LMNA P02545 1/20 0.58
▸ MAPT P10636 1/20 0.56

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
SCHEMBL20067933 0.91 SIRT2 (0.71) SIRT2ALDH1A1LMNAMAPT
SCHEMBL20067961 0.90 SIRT2 (0.72) SIRT2ALDH1A1LMNAMAPT
SCHEMBL20067947 0.83 SIRT2 (0.69) SIRT2ALDH1A1LMNAMAPT
SCHEMBL20067944 0.83 SIRT2 (0.72) SIRT2ALDH1A1LMNAMAPT
SCHEMBL20068003 0.82 SIRT2 (0.71) SIRT2ALDH1A1LMNAMAPT
SCHEMBL20067942 0.81 SIRT2 (0.65) SIRT2ALDH1A1LMNAMAPT
SCHEMBL20067962 0.79 SIRT2 (0.81) SIRT2ALDH1A1LMNA
SCHEMBL20067983 0.79 SIRT2 (0.74) SIRT2ALDH1A1LMNAMAPT
SCHEMBL20067956 0.78 SIRT2 (1.00) SIRT2ALDH1A1LMNA
SCHEMBL20067952 0.78 SIRT2 (0.83) SIRT2LMNA

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-2018068357-A1 NOVEL SIRT2 PROTEIN INHIBITOR AND PHARMACEUTICAL USE THEREOF 西华大学 2018-04-19 — — WO disclosed
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