SCHEMBL4410864

SCHEMBL4410864

CC(C)Cn1nnnc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
CNR2 P34972 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
LMNA P02545 1/20 0.36
TRPV1 Q8NER1 1/20 0.35
ALDH1A1 P00352 2/20 0.33
TOP2A P11388 1/20 0.33
GRM2 Q14416 1/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.30
ATM Q13315 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
SCHEMBL4405624 0.79 ALDH1A1 (0.41) MAPTNPSR1LMNAALDH1A1KMT2A
SCHEMBL4415079 0.76 CYP1A2 (0.39) MAPTKDM4ELMNAALDH1A1KMT2A
SCHEMBL4405823 0.75 MEN1 (0.31) MAPTKMT2AMEN1
SCHEMBL4404541 0.72 CNR1 (0.38) CNR2ALDH1A1KMT2AMEN1
SCHEMBL4414682 0.72 CYP1A2 (0.36) ALDH1A1KMT2AMEN1
SCHEMBL28061180 0.71 ALDH1A1 (0.43) MAPTKDM4ELMNAALDH1A1KMT2A
SCHEMBL4410876 0.69 MAPK1 (0.43) MAPTCNR2LMNATRPV1ALDH1A1
SCHEMBL4413128 0.69
SCHEMBL4406626 0.68 LMNA (0.50) MAPTLMNAALDH1A1GRM2KMT2A
SCHEMBL11767534 0.67 CNR2 (0.41) MAPTCNR2LMNATRPV1ALDH1A1

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