SCHEMBL20893167

SCHEMBL20893167

COc1cc(C(=O)Nc2ccccc2-c2cn3c(CN4CCNCC4)csc3n2)cc(OC)c1C

nearest known ligand 0.88

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 13/20 0.88
CHRM2 P08172 1/20 0.65
ADRA2A P08913 1/20 0.65
CHRM1 P11229 1/20 0.65
SLC6A2 P23975 1/20 0.65
SIRT2 Q8IXJ6 1/20 0.65
SIRT3 Q9NTG7 1/20 0.65
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
CHEK1 O14757 3/20 0.40
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL14654576 0.96 SIRT1 (0.84) SIRT1CHRM2ADRA2ACHRM1SLC6A2
SCHEMBL1302286 0.94 SIRT1 (1.00) SIRT1CHRM2ADRA2ACHRM1SLC6A2
SCHEMBL2624433 0.92 SIRT1 (0.85) SIRT1CHRM2ADRA2ACHRM1SLC6A2
SCHEMBL10245951 0.90 SIRT1 (0.81) SIRT1CHRM2ADRA2ACHRM1SLC6A2
SCHEMBL2740381 0.89 SIRT1 (0.80) SIRT1CHRM2ADRA2ACHRM1SLC6A2
SCHEMBL2740426 0.88 SIRT1 (1.00) SIRT1CHRM2ADRA2ACHRM1SLC6A2
SCHEMBL2740431 0.87 SIRT1 (0.82) SIRT1CHRM2ADRA2ACHRM1SLC6A2
SCHEMBL2624781 0.87 SIRT1 (1.00) SIRT1CHRM2ADRA2ACHRM1SLC6A2
SCHEMBL2624783 0.87 SIRT1 (1.00) SIRT1CHRM2ADRA2ACHRM1SLC6A2
SCHEMBL2624513 0.86 SIRT1 (0.87) 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-3466418-A1 COMPOSITIONS AND METHODS FOR MODULATING METABOLIC PATHWAYS NuSirt Sciences, Inc. (US) 2019-04-10 EP disclosed