SCHEMBL16229451

SCHEMBL16229451

CCCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 17/20 0.64
SIRT2 Q8IXJ6 15/20 0.64
SIRT3 Q9NTG7 1/20 0.63
ALDH1A1 P00352 1/20 0.60
MAPT P10636 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60

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
SCHEMBL17826589 0.88 SIRT1 (0.60) SIRT1SIRT2SIRT3
SCHEMBL16229386 0.87 MEN1 (0.70) SIRT1SIRT2SIRT3ALDH1A1MAPT
Hydrochloric Acid SCHEMBL1707568 0.87 SIRT1 (0.82) SIRT1SIRT2SIRT3
SCHEMBL4369732 0.86 SIRT2 (0.64) SIRT1SIRT2ALDH1A1SMN1; SMN2
SCHEMBL16229383 0.86 SIRT2 (0.77) SIRT1SIRT2SIRT3ALDH1A1
SCHEMBL16229469 0.86 SIRT2 (0.73) SIRT1SIRT2SIRT3ALDH1A1MAPT
SCHEMBL16229381 0.86 SIRT1 (0.67) SIRT1SIRT2SIRT3ALDH1A1SMN1; SMN2
SCHEMBL16229390 0.85 ALDH1A1 (0.70) SIRT1SIRT2ALDH1A1SMN1; SMN2
SCHEMBL9539840 0.85 SMN1; SMN2 (0.65) ALDH1A1MAPTSMN1; SMN2
SCHEMBL16229389 0.85 SIRT2 (0.86) SIRT1SIRT2SIRT3ALDH1A1MAPT

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