SCHEMBL13470833

SCHEMBL13470833

O=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)c1ccc(O)c(O)c1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 13/20 0.81
CHRM2 P08172 1/20 0.68
ADRA2A P08913 1/20 0.68
CHRM1 P11229 1/20 0.68
SLC6A2 P23975 1/20 0.68
SIRT2 Q8IXJ6 1/20 0.68
SIRT3 Q9NTG7 1/20 0.68
HDAC1 Q13547 1/20 0.45
TOP1 P11387 2/20 0.41
TERT O14746 1/20 0.41
HDAC3 O15379 1/20 0.37
HDAC2 Q92769 1/20 0.37
RRM1 P23921 1/20 0.37
RRM2B Q7LG56 1/20 0.37
CA2 P00918 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
CA9 Q16790 1/20 0.36
CCNC P24863 1/20 0.36

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
SCHEMBL2624783 0.90 SIRT1 (1.00) SIRT1CHRM2ADRA2ACHRM1SLC6A2
SCHEMBL12167509 0.88 SIRT1 (0.87) SIRT1CHRM2ADRA2ACHRM1SLC6A2
SCHEMBL2740401 0.88 SIRT1 (0.90) SIRT1CHRM2ADRA2ACHRM1SLC6A2
SCHEMBL12167437 0.88 SIRT1 (0.82) SIRT1CHRM2ADRA2ACHRM1SLC6A2
SCHEMBL2740403 0.88 SIRT1 (0.85) SIRT1CHRM2ADRA2ACHRM1SLC6A2
SCHEMBL2740393 0.87 SIRT1 (0.82) SIRT1CHRM2ADRA2ACHRM1SLC6A2
SCHEMBL2624784 0.87 SIRT1 (0.76) SIRT1CHRM2ADRA2ACHRM1SLC6A2
SCHEMBL2740244 0.87 SIRT1 (0.76) SIRT1CHRM2ADRA2ACHRM1SLC6A2
SCHEMBL2624433 0.87 SIRT1 (0.85) SIRT1CHRM2ADRA2ACHRM1SLC6A2
SCHEMBL2624791 0.87 SIRT1 (0.84) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910362-B1 IMIDAZOPYRIDINE DERIVATIVES AS SIRTUIN MODULATING AGENTS SIRTRIS PHARMACEUTICALS INC (US) 2012-10-17 EP disclosed