SCHEMBL16229477

SCHEMBL16229477

CCCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(CCC)cc2)cc1

nearest known ligand 0.82

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 15/20 0.82
SIRT1 Q96EB6 15/20 0.82
SIRT3 Q9NTG7 1/20 0.58
POLB P06746 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
GAA P10253 1/20 0.56
MAPT P10636 1/20 0.56
NLRP1 Q9C000 1/20 0.56

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
SCHEMBL16229389 0.95 SIRT2 (0.86) SIRT2SIRT1SIRT3POLBTDP1
SCHEMBL16229469 0.92 SIRT2 (0.73) SIRT2SIRT1SIRT3TDP1KDM4E
Hydrochloric Acid SCHEMBL1708338 0.89 SIRT2 (1.00) SIRT2SIRT1SIRT3
SCHEMBL16229386 0.88 MEN1 (0.70) SIRT2SIRT1SIRT3KDM4EALDH1A1
Hydrochloric Acid SCHEMBL1706964 0.87 SIRT2 (1.00) SIRT2SIRT1SIRT3
SCHEMBL16229471 0.87 SIRT2 (1.00) SIRT2SIRT1SIRT3
SCHEMBL16229381 0.87 SIRT1 (0.67) SIRT2SIRT1SIRT3ALDH1A1
SCHEMBL16229383 0.87 SIRT2 (0.77) SIRT2SIRT1SIRT3ALDH1A1
SCHEMBL16229390 0.86 ALDH1A1 (0.70) SIRT2SIRT1POLBALDH1A1
Hydrochloric Acid SCHEMBL1707578 0.86 SIRT2 (1.00) SIRT2SIRT1SIRT3

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
EP-2440522-B1 AROYLTHIOUREA AND ARYLTHIOCARBONYLUREA DERIVATIVES UNIV DUNDEE (GB) 2014-11-12 EP disclosed