SCHEMBL8293573

SCHEMBL8293573

Bc1ccc2[nH]c3c(c2c1)CCCC3C(N)=O

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SIRT1 Q96EB6 15/20 0.75
▸ SIRT2 Q8IXJ6 5/20 0.73
▸ SIRT3 Q9NTG7 2/20 0.73
▸ RECQL P46063 1/20 0.73
▸ ALOX15 P16050 3/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ TSHR P16473 1/20 0.54
▸ LMNA P02545 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ TP53 P04637 1/20 0.51
▸ MAPT P10636 3/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ GAA P10253 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL31328289 0.85 SIRT1 (0.75) SIRT1SIRT2SIRT3RECQLALOX15
SCHEMBL1874310 0.85 SIRT1 (1.00) SIRT1SIRT2SIRT3RECQLALOX15
SCHEMBL29915361 0.85 SIRT1 (1.00) SIRT1SIRT2SIRT3RECQLMEN1
SCHEMBL8244015 0.85 SIRT1 (1.00) SIRT1SIRT2SIRT3RECQLMEN1
SCHEMBL1870769 0.85 SIRT1 (1.00) SIRT1SIRT2SIRT3RECQLALOX15
SCHEMBL4165081 0.85 SIRT1 (0.75) SIRT1SIRT2SIRT3RECQLALOX15
SCHEMBL1275557 0.85 SIRT1 (1.00) SIRT1SIRT2SIRT3RECQLALOX15
SCHEMBL8221609 0.84 SIRT1 (0.73) SIRT1SIRT2SIRT3RECQLALOX15
SCHEMBL8219990 0.84 SIRT1 (0.73) SIRT1SIRT2SIRT3RECQLALOX15
SCHEMBL251128 0.81 SIRT1 (1.00) SIRT1SIRT2SIRT3RECQLALOX15

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
WO-2005026112-A2 METHODS OF TREATING A DISORDER ELIXIR PHARMACEUTICALS, INC. (US) 2005-03-24 — — WO disclosed
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