SCHEMBL4623661

SCHEMBL4623661

C#CCc1nc2c(c(=O)[nH]c(=O)n2CC)n1CC

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
TPH1 P17752 17/20 0.47
TPH2 Q8IWU9 17/20 0.47
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL3223903 0.75 PDE4A (0.55) MEN1KMT2ATPH1TPH2ALDH1A1
SCHEMBL6884105 0.75 MEN1 (0.49) MEN1KMT2ATPH1TPH2ALDH1A1
SCHEMBL12233269 0.74 ALDH1A1 (0.45) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL788784 0.74 ALDH1A1 (0.50) TPH1TPH2ALDH1A1SMN1; SMN2
SCHEMBL19066322 0.71 RXFP1 (0.59) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL19066314 0.71 MEN1 (0.65) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL836795 0.70 ALDH1A1 (0.49) MEN1KMT2ATPH1TPH2ALDH1A1
SCHEMBL20432090 0.70 ALDH1A1 (0.51) MEN1KMT2ATPH1TPH2ALDH1A1
SCHEMBL12233268 0.69 MAPK1 (0.53) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL21389577 0.69 MEN1 (1.00) MEN1KMT2ATPH1TPH2ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1904020-A2 NEW SLIMMING COSMETIC COMPOSITIONS Sederma S.A.S. (FR) 2008-04-02 EP disclosed
WO-2007010478-A2 SLIMMING COSMETIC COMPOSITIONS SEDERMA (FR) 2007-01-25 WO disclosed