SCHEMBL13470784

SCHEMBL13470784

Nc1ccccc1-c1cn2c(CCO)csc2n1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SIRT1 Q96EB6 13/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ AR P10275 1/20 0.39
▸ CHRM2 P08172 1/20 0.37
▸ ADRA2A P08913 1/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ SLC6A2 P23975 1/20 0.37
▸ SIRT2 Q8IXJ6 1/20 0.37
▸ SIRT3 Q9NTG7 1/20 0.37
▸ MAPK8 P45983 1/20 0.37
▸ EGFR P00533 1/20 0.36
▸ AKT1 P31749 1/20 0.36
▸ AKT2 P31751 1/20 0.36
▸ AKT3 Q9Y243 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
SCHEMBL11987212 0.90 SIRT1 (0.42) SIRT1SMN1; SMN2ARCHRM2ADRA2A
SCHEMBL219651 0.80 F2RL3 (0.46) SIRT1
SCHEMBL13470774 0.80 TP53 (0.46) SIRT1MAPK8EGFRAKT1AKT2
SCHEMBL222169 0.79 SIRT1 (0.52) SIRT1SMN1; SMN2ARCHRM2ADRA2A
SCHEMBL221866 0.76 SIRT1 (0.50) SIRT1SMN1; SMN2ARCHRM2ADRA2A
SCHEMBL962137 0.76 SIRT1 (0.40) SIRT1CHRM2ADRA2ACHRM1SLC6A2
SCHEMBL4610482 0.76 SIRT1 (0.65) SIRT1SMN1; SMN2ARCHRM2ADRA2A
SCHEMBL4695257 0.76 SIRT1 (0.55) SIRT1SMN1; SMN2ARCHRM2ADRA2A
SCHEMBL3503103 0.76 SIRT1 (0.49) SIRT1SMN1; SMN2ARCHRM2ADRA2A
SCHEMBL13077858 0.72 SIRT1 (0.33) SIRT1ARCHRM2ADRA2ACHRM1

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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