SCHEMBL13158554

SCHEMBL13158554

Cc1ccc(N2CCN(CCCC(=S)NC3CCN(c4ccc([N+](=O)[O-])c(C(F)(F)F)c4)CC3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SIRT6 Q8N6T7 2/20 0.52
▸ TMEM97 Q5BJF2 6/20 0.41
▸ DRD2 P14416 1/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ MAPT P10636 8/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ SERPINE1 P05121 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.36
▸ HPGD P15428 2/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ ALOX12 P18054 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
SCHEMBL12060103 0.93 SIRT6 (0.50) SIRT6TMEM97DRD2MAPTSERPINE1
SCHEMBL12043295 0.91 SIRT6 (0.52) SIRT6TMEM97DRD2DRD3MAPT
SCHEMBL12043244 0.87 SIRT6 (0.54) SIRT6TMEM97DRD2DRD3MAPT
SCHEMBL12043268 0.83 SIRT6 (0.51) SIRT6TMEM97DRD2DRD3SERPINE1
SCHEMBL13158545 0.83 AR (0.46) DRD2DRD3
SCHEMBL9984436 0.83 SIRT6 (0.51) SIRT6TMEM97DRD2DRD3SERPINE1
SCHEMBL12059676 0.83 SIRT6 (0.51) SIRT6TMEM97DRD2MAPTLMNA
SCHEMBL12043264 0.83 SIRT6 (0.50) SIRT6TMEM97DRD2DRD3MAPT
SCHEMBL12059471 0.82 SIRT6 (0.50) SIRT6DRD2DRD3MAPTLMNA
SCHEMBL12043776 0.80 SIRT6 (0.44) SIRT6TMEM97DRD2DRD3MAPT

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-2010115688-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2010-10-14 — — WO disclosed
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