SCHEMBL20068022

SCHEMBL20068022

Cc1cc(C)nc(SCC(=O)Nc2ccc(COc3ccccc3)cc2)n1

nearest known ligand 0.80

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 14/20 0.80
▸ LMNA P02545 4/20 0.70
▸ RAB9A P51151 2/20 0.66
▸ ALDH1A1 P00352 1/20 0.66
▸ PKM P14618 1/20 0.66
▸ NPC1 O15118 1/20 0.60
▸ TDP1 Q9NUW8 1/20 0.60
▸ MAPT P10636 1/20 0.59
▸ HTT P42858 1/20 0.59

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
SCHEMBL20068106 0.96 SIRT2 (0.80) SIRT2LMNARAB9AALDH1A1PKM
SCHEMBL20067960 0.89 SIRT2 (0.88) SIRT2LMNARAB9AALDH1A1PKM
SCHEMBL20067956 0.89 SIRT2 (1.00) SIRT2LMNARAB9AALDH1A1PKM
SCHEMBL20067958 0.86 LMNA (0.80) SIRT2LMNAALDH1A1MAPTHTT
SCHEMBL20067928 0.85 SIRT2 (0.76) SIRT2LMNAALDH1A1MAPTHTT
SCHEMBL20067970 0.84 SIRT2 (0.70) SIRT2LMNARAB9AALDH1A1PKM
SCHEMBL20067962 0.83 SIRT2 (0.81) SIRT2LMNARAB9AALDH1A1PKM
SCHEMBL20067965 0.82 SIRT2 (0.79) SIRT2LMNAALDH1A1MAPTHTT
SCHEMBL20067953 0.82 SIRT2 (0.67) SIRT2LMNARAB9AALDH1A1PKM
SCHEMBL20068003 0.82 SIRT2 (0.71) SIRT2LMNAALDH1A1MAPTHTT

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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