SCHEMBL20067931

SCHEMBL20067931

Cc1cc(C)nc(SCC(=O)Nc2cccc(Sc3ccccc3)c2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 7/20 1.00
▸ LMNA P02545 4/20 0.61
▸ ALDH1A1 P00352 1/20 0.61
▸ POLB P06746 1/20 0.58
▸ CYP1A2 P05177 1/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ CYP2D6 P10635 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ MAPT P10636 2/20 0.55
▸ USP2 O75604 2/20 0.55
▸ HTT P42858 1/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ GAA P10253 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
SCHEMBL20068107 0.91 SIRT2 (1.00) SIRT2LMNAALDH1A1MAPTUSP2
SCHEMBL20067930 0.85 SIRT2 (0.74) SIRT2LMNAALDH1A1CYP1A2CYP3A4
SCHEMBL20067983 0.83 SIRT2 (0.74) SIRT2LMNAALDH1A1CYP1A2CYP3A4
SCHEMBL20067935 0.83 SIRT2 (0.71) SIRT2LMNAALDH1A1CYP1A2CYP3A4
SCHEMBL20067965 0.83 SIRT2 (0.79) SIRT2LMNAALDH1A1MAPTUSP2
SCHEMBL20067974 0.82 LMNA (0.77) SIRT2LMNAALDH1A1POLBMAPT
SCHEMBL20067976 0.81 SIRT2 (0.69) SIRT2LMNAALDH1A1CYP1A2CYP3A4
SCHEMBL20067986 0.81 SIRT2 (0.69) SIRT2LMNAALDH1A1CYP1A2CYP3A4
SCHEMBL20067941 0.81 ALDH1A1 (0.74) SIRT2LMNAALDH1A1CYP1A2CYP3A4
SCHEMBL20067961 0.81 SIRT2 (0.72) SIRT2LMNAALDH1A1CYP1A2CYP3A4

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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