SCHEMBL4408922

SCHEMBL4408922

CC(C)n1nnnc1C#N

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 1/20 0.35
PGR P06401 1/20 0.34

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
SCHEMBL4411952 0.70
SCHEMBL4407825 0.65
SCHEMBL11768987 0.65
SCHEMBL2553769 0.65
SCHEMBL4400334 0.65
SCHEMBL4403793 0.65
SCHEMBL4408186 0.65
SCHEMBL3264142 0.65
SCHEMBL4407817 0.65
SCHEMBL4415078 0.65

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