SCHEMBL20067958

SCHEMBL20067958

Cc1cc(C)nc(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)n1

nearest known ligand 0.80

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.80
▸ SIRT2 Q8IXJ6 5/20 0.74
▸ MAPT P10636 1/20 0.70
▸ HTT P42858 1/20 0.70
▸ MEN1 O00255 2/20 0.64
▸ KMT2A Q03164 2/20 0.64
▸ SMN1; SMN2 Q16637 2/20 0.64
▸ HPGD P15428 1/20 0.64
▸ ALDH1A1 P00352 2/20 0.61
▸ NPSR1 Q6W5P4 1/20 0.60
▸ GLA P06280 1/20 0.59
▸ GAA P10253 2/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ KDM4E B2RXH2 1/20 0.58
▸ RGS12 O14924 1/20 0.57
▸ HSD17B10 Q99714 1/20 0.57

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
SCHEMBL20067974 0.91 LMNA (0.77) LMNASIRT2MAPTHTTSMN1; SMN2
SCHEMBL20068022 0.86 SIRT2 (0.80) LMNASIRT2MAPTHTTALDH1A1
SCHEMBL20068106 0.86 SIRT2 (0.80) LMNASIRT2SMN1; SMN2ALDH1A1
SCHEMBL20067965 0.86 SIRT2 (0.79) LMNASIRT2MAPTHTTMEN1
SCHEMBL20068107 0.85 SIRT2 (1.00) LMNASIRT2MAPTHTTMEN1
SCHEMBL20067982 0.84 SIRT2 (0.76) LMNASIRT2MAPTHTTMEN1
SCHEMBL20067928 0.84 SIRT2 (0.76) LMNASIRT2MAPTHTTMEN1
SCHEMBL20068103 0.82 SIRT2 (0.72) LMNASIRT2MAPTHTTMEN1
SCHEMBL20067944 0.82 SIRT2 (0.72) LMNASIRT2MAPTHTTMEN1
SCHEMBL20068108 0.82 SIRT2 (0.72) LMNASIRT2MAPTHTTMEN1

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
Send feedback