SCHEMBL13470786

SCHEMBL13470786

O=C(Nc1ccccc1-c1cn2c(CNCCS)csc2n1)c1cnc2ccccc2n1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SIRT1 Q96EB6 14/20 0.67
▸ CHRM2 P08172 1/20 0.67
▸ ADRA2A P08913 1/20 0.67
▸ CHRM1 P11229 1/20 0.67
▸ SLC6A2 P23975 1/20 0.67
▸ SIRT2 Q8IXJ6 1/20 0.67
▸ SIRT3 Q9NTG7 1/20 0.67
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ PDE5A O76074 1/20 0.39

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
SCHEMBL2740359 0.87 SIRT1 (0.74) SIRT1CHRM2ADRA2ACHRM1SLC6A2
SCHEMBL2740378 0.86 SIRT1 (0.64) SIRT1CHRM2ADRA2ACHRM1SLC6A2
SCHEMBL14608035 0.86 SIRT1 (0.73) SIRT1CHRM2ADRA2ACHRM1SLC6A2
SCHEMBL2740410 0.85 SIRT1 (0.72) SIRT1CHRM2ADRA2ACHRM1SLC6A2
SCHEMBL2740405 0.84 SIRT1 (0.61) SIRT1CHRM2ADRA2ACHRM1SLC6A2
SCHEMBL13083476 0.84 SIRT1 (0.63) SIRT1CHRM2ADRA2ACHRM1SLC6A2
SCHEMBL2740409 0.83 SIRT1 (0.69) SIRT1CHRM2ADRA2ACHRM1SLC6A2
SCHEMBL2740335 0.82 SIRT1 (0.86) SIRT1CHRM2ADRA2ACHRM1SLC6A2
SCHEMBL2740334 0.81 SIRT1 (0.85) SIRT1CHRM2ADRA2ACHRM1SLC6A2
SCHEMBL2740400 0.81 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 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
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