SCHEMBL4414682

SCHEMBL4414682

CC(C)n1nnnc1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL4413128 0.72
SCHEMBL4410864 0.72 MAPT (0.39) ALDH1A1MEN1KMT2A
SCHEMBL4405896 0.68
SCHEMBL4413060 0.68
SCHEMBL3293430 0.68
SCHEMBL11031555 0.68
SCHEMBL4408056 0.68 PKM (0.30)
SCHEMBL4405624 0.68 ALDH1A1 (0.41) CYP1A2CYP2C19POLBTDP1ALDH1A1
SCHEMBL4409306 0.68 ALDH1A1 (0.34) ALDH1A1
SCHEMBL28865662 0.67

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