SCHEMBL4405439

SCHEMBL4405439

CCCCCCn1nnnc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 3/20 0.39
CNR1 P21554 2/20 0.37
CNR2 P34972 2/20 0.37
ACHE P22303 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
CYP2C19 P33261 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL4404541 0.98 CNR1 (0.38) SLC9A1CNR1CNR2ACHEALDH1A1
SCHEMBL4405924 0.93 HTT (0.40) SLC9A1ALDH1A1HTTCYP2C19MEN1
SCHEMBL4415079 0.86 CYP1A2 (0.39) ALDH1A1CYP2C19MEN1KMT2A
SCHEMBL4405624 0.79 ALDH1A1 (0.41) ALDH1A1HTTCYP2C19MEN1KMT2A
SCHEMBL5273507 0.73 SLC9A1 (0.41) SLC9A1CNR1CNR2ACHEALDH1A1
SCHEMBL5288803 0.73 SLC9A1 (0.41) SLC9A1CNR1CNR2ACHEALDH1A1
SCHEMBL5281852 0.73 SLC9A1 (0.41) SLC9A1CNR1CNR2ACHEALDH1A1
SCHEMBL5274630 0.73 SLC9A1 (0.41) SLC9A1CNR1CNR2ACHEALDH1A1
SCHEMBL5281712 0.72 SLC9A1 (0.40) SLC9A1CNR1CNR2ACHEALDH1A1
SCHEMBL5274060 0.72 SLC9A1 (0.40) SLC9A1CNR1CNR2ACHEALDH1A1

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