SCHEMBL20068030

SCHEMBL20068030

Cc1cc(O)nc(SCC(=O)Nc2ccc(Nc3ccccc3)cc2)n1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 6/20 0.72
▸ LMNA P02545 5/20 0.65
▸ GAA P10253 3/20 0.59
▸ MAPT P10636 3/20 0.58
▸ USP2 O75604 2/20 0.58
▸ MEN1 O00255 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ HTT P42858 2/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ RGS12 O14924 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ TSHR P16473 1/20 0.53

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
SCHEMBL20067965 0.93 SIRT2 (0.79) SIRT2LMNAGAAMAPTUSP2
SCHEMBL20067930 0.85 SIRT2 (0.74) SIRT2LMNAGAAMAPTUSP2
SCHEMBL20068107 0.84 SIRT2 (1.00) SIRT2LMNAGAAMAPTUSP2
SCHEMBL20068003 0.82 SIRT2 (0.71) SIRT2LMNAGAAMAPTUSP2
SCHEMBL18306579 0.81 MAPT (0.82) SIRT2LMNAGAAMAPTUSP2
SCHEMBL20067944 0.81 SIRT2 (0.72) SIRT2LMNAGAAMAPTUSP2
SCHEMBL20067982 0.81 SIRT2 (0.76) SIRT2LMNAGAAMAPTUSP2
SCHEMBL20067928 0.81 SIRT2 (0.76) SIRT2LMNAGAAMAPTUSP2
SCHEMBL22640037 0.80 MAPT (0.85) SIRT2LMNAGAAMAPTMEN1
SCHEMBL13856720 0.80 ALDH1A1 (0.65) SIRT2LMNAGAAMAPTMEN1

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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