SCHEMBL4411099

SCHEMBL4411099

CC(C)n1nnc([N+](=O)[O-])n1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.36
HTT P42858 4/20 0.34
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MITF O75030 1/20 0.34
ALPL P05186 1/20 0.34
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
ALDH1A1 P00352 2/20 0.32
GAA P10253 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL2210336 0.72
SCHEMBL4407855 0.72 HTT (0.43) LMNAHTTMAPTSMN1; SMN2MITF
SCHEMBL4416363 0.72 HTT (0.40) LMNAHTTMAPTSMN1; SMN2MITF
SCHEMBL4413166 0.68
SCHEMBL4408198 0.68
SCHEMBL7837335 0.68
SCHEMBL4408836 0.68 HTT (0.37) LMNAHTTMAPTSMN1; SMN2MITF
SCHEMBL4407337 0.68 HTT (0.40) LMNAHTTMAPTSMN1; SMN2MITF
SCHEMBL7854274 0.67 HTT (0.33) LMNAHTTMAPTSMN1; SMN2MITF
SCHEMBL16243616 0.67 HTT (0.33) LMNAHTTMAPTSMN1; SMN2MITF

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