SCHEMBL4404541

SCHEMBL4404541

CCCCCn1nnnc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.38
CNR2 P34972 2/20 0.38
ACHE P22303 1/20 0.38
SLC9A1 P19634 3/20 0.37
HTT P42858 1/20 0.37
CYP2C19 P33261 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HCAR3 P49019 1/20 0.34
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL4405439 0.98 SLC9A1 (0.39) CNR1CNR2ACHESLC9A1HTT
SCHEMBL4405924 0.95 HTT (0.40) SLC9A1HTTCYP2C19MEN1KMT2A
SCHEMBL4415079 0.88 CYP1A2 (0.39) CYP2C19MEN1KMT2AALDH1A1
SCHEMBL4405624 0.80 ALDH1A1 (0.41) HTTCYP2C19MEN1KMT2AALDH1A1
SCHEMBL4405823 0.72 MEN1 (0.31) MEN1KMT2A
SCHEMBL4410864 0.72 MAPT (0.39) CNR2MEN1KMT2AALDH1A1
SCHEMBL5281852 0.71 SLC9A1 (0.41) CNR1CNR2ACHESLC9A1HCAR3
SCHEMBL5274630 0.71 SLC9A1 (0.41) CNR1CNR2ACHESLC9A1MEN1
SCHEMBL5288803 0.71 SLC9A1 (0.41) CNR1CNR2ACHESLC9A1MEN1
SCHEMBL5273507 0.71 SLC9A1 (0.41) CNR1CNR2ACHESLC9A1HCAR3

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