SCHEMBL5274465

SCHEMBL5274465

CCCCCCN1N=CN([N+](=O)[O-])C1[N+](=O)[O-]

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.33
PTGS2 P35354 3/20 0.33
MGLL Q99685 2/20 0.33
ALDH1A1 P00352 1/20 0.33
FAAH O00519 1/20 0.33
CNR1 P21554 1/20 0.30
ACHE P22303 1/20 0.30
CNR2 P34972 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
SCHEMBL5286633 0.94
SCHEMBL5277671 0.88
SCHEMBL5276995 0.85 ALDH1A1 (0.35) PTGS1PTGS2MGLLALDH1A1FAAH
SCHEMBL5281486 0.84 ALDH1A1 (0.34) PTGS1PTGS2MGLLALDH1A1FAAH
SCHEMBL5286177 0.84 ALDH1A1 (0.34) PTGS1PTGS2MGLLALDH1A1FAAH
SCHEMBL5282970 0.82 ALDH1A1 (0.33) PTGS1PTGS2MGLLALDH1A1FAAH
SCHEMBL5274013 0.82 ALDH1A1 (0.33) PTGS1PTGS2MGLLALDH1A1FAAH
SCHEMBL5276593 0.82 ALDH1A1 (0.33) PTGS1PTGS2MGLLALDH1A1FAAH
SCHEMBL5276687 0.82 ALDH1A1 (0.33) PTGS1PTGS2MGLLALDH1A1FAAH
SCHEMBL5275296 0.82 PTGS1 (0.33) PTGS1PTGS2MGLLALDH1A1FAAH

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1859781-A2 Brightening and/or colouring agent with triazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP disclosed