SCHEMBL4407337

SCHEMBL4407337

CC(C)(C)Cn1nnc([N+](=O)[O-])n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 6/20 0.40
LMNA P02545 7/20 0.40
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
GAA P10253 2/20 0.38
MAPT P10636 3/20 0.37
POLB P06746 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NOD2 Q9HC29 1/20 0.37
MITF O75030 1/20 0.32
ALPL P05186 1/20 0.32
APEX1 P27695 1/20 0.32
APOBEC3A P31941 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
CRHBP P24387 1/20 0.30
CRHR2 Q13324 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
SCHEMBL4407855 0.79 HTT (0.43) HTTLMNAALDH1A1SMN1; SMN2GAA
SCHEMBL4411065 0.78 RAB9A (0.42) HTTLMNAALDH1A1SMN1; SMN2GAA
SCHEMBL4416363 0.75 HTT (0.40) HTTLMNAALDH1A1SMN1; SMN2GAA
SCHEMBL4406717 0.74 KMT2A (0.41) HTTLMNAALDH1A1SMN1; SMN2GAA
SCHEMBL4413426 0.72 KMT2A (0.42) HTTLMNAALDH1A1SMN1; SMN2GAA
SCHEMBL4407024 0.71 KMT2A (0.41) HTTLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL4406971 0.69 CNR1 (0.33) CNR1CNR2
SCHEMBL2210336 0.69
SCHEMBL4411099 0.68 LMNA (0.36) HTTLMNAALDH1A1SMN1; SMN2GAA
SCHEMBL18719814 0.66 HTT (0.67) HTTLMNAALDH1A1SMN1; SMN2GAA

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