SCHEMBL5275296

SCHEMBL5275296

CCCCCCN1N=CN([N+](=O)[O-])C1F

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
SCHEMBL5277123 0.94
SCHEMBL5284258 0.88
SCHEMBL5281486 0.84 ALDH1A1 (0.34) PTGS1PTGS2MGLLALDH1A1FAAH
SCHEMBL5276255 0.82 PTGS1 (0.33) PTGS1PTGS2MGLLALDH1A1FAAH
SCHEMBL5276847 0.82 PTGS1 (0.33) PTGS1PTGS2MGLLALDH1A1FAAH
SCHEMBL5274465 0.82 PTGS1 (0.33) PTGS1PTGS2MGLLALDH1A1FAAH
SCHEMBL5282579 0.82 PTGS1 (0.33) PTGS1PTGS2MGLLALDH1A1FAAH
SCHEMBL5283195 0.82 PTGS1 (0.31) PTGS1PTGS2MGLLALDH1A1FAAH
SCHEMBL5275851 0.81 PTGS1 (0.33) PTGS1PTGS2MGLLALDH1A1FAAH
SCHEMBL5275308 0.81 PKM (0.35) 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