SCHEMBL4551571

SCHEMBL4551571

CC(C)(CC=O)Cn1cnnn1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
KCNJ1 P48048 4/20 0.33
STAT5B P51692 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL4686234 0.75 ALDH1A1 (0.50) MEN1ALDH1A1KMT2ASTAT5BLMNA
SCHEMBL15932248 0.74 MEN1 (0.54) MEN1ALDH1A1KMT2ASTAT5BTP53
SCHEMBL27507938 0.71 ALDH1A1 (0.50) MEN1ALDH1A1KMT2A
SCHEMBL4686237 0.71 ALDH1A1 (0.50) MEN1ALDH1A1KMT2ASTAT5BLMNA
SCHEMBL2005547 0.69
SCHEMBL21111103 0.68 MEN1 (0.46) MEN1ALDH1A1KMT2A
SCHEMBL6352896 0.68 MEN1 (0.38) MEN1ALDH1A1KMT2A
SCHEMBL6344113 0.68 MEN1 (0.38) MEN1ALDH1A1KMT2A
SCHEMBL6343283 0.68 MEN1 (0.38) MEN1ALDH1A1KMT2A
SCHEMBL4543939 0.68

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-1859782-B1 Composition for coloring and/or lightening human hair comprising tetrazoles HENKEL AG & CO KGAA (DE) 2009-12-30 EP disclosed
EP-1859782-A1 Composition for coloring and/or lightening human hair comprising tetrazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP disclosed