SCHEMBL5276255

SCHEMBL5276255

CCCCCCN1N=CN([N+](=O)[O-])C1CC

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
SCHEMBL5282564 0.94 ALDH1A1 (0.31) ALDH1A1
SCHEMBL5275321 0.90 PTGS1 (0.33) PTGS1PTGS2MGLLALDH1A1FAAH
SCHEMBL5275308 0.90 PKM (0.35) PTGS1PTGS2MGLLALDH1A1FAAH
SCHEMBL5284860 0.88
SCHEMBL5282233 0.87 PTGS1 (0.31) PTGS1PTGS2MGLLALDH1A1FAAH
SCHEMBL5279575 0.86 PTGS1 (0.30) PTGS1PTGS2MGLLALDH1A1FAAH
SCHEMBL5281486 0.84 ALDH1A1 (0.34) PTGS1PTGS2MGLLALDH1A1FAAH
SCHEMBL5274906 0.84 PKM (0.36) ALDH1A1
SCHEMBL5280820 0.84 ALDH1A1 (0.32) ALDH1A1
SCHEMBL5282064 0.83 PTGS1 (0.32) 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