SCHEMBL20068103

SCHEMBL20068103

Cc1cc(C)nc(SCC(=O)Nc2ccc(C(O)c3ccccc3)cc2)n1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 5/20 0.72
▸ LMNA P02545 5/20 0.61
▸ HTT P42858 3/20 0.59
▸ GAA P10253 2/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ MAPT P10636 2/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ RGS12 O14924 1/20 0.56
▸ USP2 O75604 2/20 0.56
▸ ALDH1A1 P00352 1/20 0.55
▸ GALR3 O60755 1/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ KDM4E B2RXH2 1/20 0.54

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
SCHEMBL20067987 0.91 SIRT2 (0.69) SIRT2LMNAHTTGAAMAPT
SCHEMBL20067965 0.85 SIRT2 (0.79) SIRT2LMNAHTTGAAMEN1
SCHEMBL20068107 0.84 SIRT2 (1.00) SIRT2LMNAHTTGAAMEN1
SCHEMBL20067982 0.83 SIRT2 (0.76) SIRT2LMNAHTTGAAMEN1
SCHEMBL20067928 0.83 SIRT2 (0.76) SIRT2LMNAHTTGAAMEN1
SCHEMBL20068176 0.82 SIRT2 (0.71) SIRT2LMNAHTTGAAMEN1
SCHEMBL20067958 0.82 LMNA (0.80) SIRT2LMNAHTTGAAMEN1
SCHEMBL20067944 0.81 SIRT2 (0.72) SIRT2LMNAHTTGAAMEN1
SCHEMBL20068108 0.81 SIRT2 (0.72) SIRT2LMNAHTTGAAMEN1
SCHEMBL20068003 0.80 SIRT2 (0.71) SIRT2LMNAHTTGAAMEN1

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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