SCHEMBL9060018

SCHEMBL9060018

CCOC(=O)C(=O)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 12/20 0.41
▸ ALDH1A1 P00352 4/20 0.40
▸ MAPT P10636 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HTT P42858 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ GABRA2 P47869 1/20 0.37
▸ GABRB2 P47870 1/20 0.37
▸ GAA P10253 1/20 0.37

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
SCHEMBL8070031 0.88 ALDH1A1 (0.49) SIRT2ALDH1A1MAPTLMNAGABRA2
SCHEMBL5266089 0.87 SIRT2 (0.41) SIRT2ALDH1A1LMNAMEN1KMT2A
SCHEMBL9789313 0.84 SIRT2 (0.42) SIRT2ALDH1A1LMNAGABRA2GABRB2
SCHEMBL1040797 0.82 RAB9A (0.39) SIRT2ALDH1A1MAPTLMNAKMT2A
SCHEMBL1040796 0.82 RAB9A (0.39) SIRT2ALDH1A1MAPTLMNAKMT2A
SCHEMBL1414901 0.81 SIRT2 (0.40) SIRT2MAPTL3MBTL1
SCHEMBL1040045 0.79 CYP11B1 (0.41) SIRT2ALDH1A1MAPTKMT2A
SCHEMBL10457151 0.78 HPGD (0.39) SIRT2L3MBTL1GABRA2GABRB2
SCHEMBL5682164 0.78 CYP11B1 (0.43) SIRT2KMT2A
SCHEMBL670904 0.78 CYP11B1 (0.43) SIRT2ALDH1A1LMNAL3MBTL1

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-1996017840-A1 HETEROCYCLYL SUBSTITUTED HYDROXYACETAMIDE DERIVATIVES AS FONGICIDES AGREVO UK LIMITED (GB) 1996-06-13 — — WO disclosed
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