SCHEMBL4789284

SCHEMBL4789284

[AsH2]c1ncccc1-c1cn2c(CN3CCOCC3)csc2n1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 13/20 0.49
CHRM2 P08172 1/20 0.44
ADRA2A P08913 1/20 0.44
CHRM1 P11229 1/20 0.44
SLC6A2 P23975 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.44
SIRT3 Q9NTG7 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 1/20 0.36
CXCR4 P61073 1/20 0.36
HTT P42858 1/20 0.35
SLC2A1 P11166 1/20 0.35
AR P10275 1/20 0.34

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
SCHEMBL221933 0.88 SIRT1 (0.48) SIRT1CHRM2ADRA2ACHRM1SLC6A2
SCHEMBL2624440 0.88 SIRT1 (0.48) SIRT1CHRM2ADRA2ACHRM1SLC6A2
SCHEMBL219156 0.88 SIRT1 (0.48) SIRT1CHRM2ADRA2ACHRM1SLC6A2
SCHEMBL221866 0.83 SIRT1 (0.50) SIRT1CHRM2ADRA2ACHRM1SLC6A2
SCHEMBL221222 0.78 SIRT1 (0.46) SIRT1CHRM2ADRA2ACHRM1SLC6A2
SCHEMBL2624441 0.77 SIRT1 (0.67) SIRT1CHRM2ADRA2ACHRM1SLC6A2
SCHEMBL4818916 0.75 SIRT1 (0.44) SIRT1CHRM2ADRA2ACHRM1SLC6A2
SCHEMBL14614733 0.75 SIRT1 (0.55) SIRT1CHRM2ADRA2ACHRM1SLC6A2
SCHEMBL4818911 0.74 SIRT1 (0.42) SIRT1CHRM2ADRA2ACHRM1SLC6A2
SCHEMBL14886520 0.73 SIRT1 (0.66) SIRT1CHRM2ADRA2ACHRM1SLC6A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910380-A1 OXAZOLOPYRIDINE DERIVATIVES AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2008-04-16 EP disclosed
WO-2007019417-A1 OXAZOLOPYRIDINE DERIVATIVES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 WO disclosed