SCHEMBL5281486

SCHEMBL5281486

CCCCCCN1N=CN([N+](=O)[O-])C1C

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
PTGS1 P23219 3/20 0.34
PTGS2 P35354 3/20 0.34
MGLL Q99685 2/20 0.34
FAAH O00519 1/20 0.34
EBP Q15125 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
CNR1 P21554 1/20 0.31
ACHE P22303 1/20 0.31
CNR2 P34972 1/20 0.31

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
SCHEMBL5280357 0.94 ALDH1A1 (0.31) ALDH1A1
SCHEMBL5275649 0.87
SCHEMBL5276847 0.84 PTGS1 (0.33) ALDH1A1PTGS1PTGS2MGLLFAAH
SCHEMBL5282579 0.84 PTGS1 (0.33) ALDH1A1PTGS1PTGS2MGLLFAAH
SCHEMBL5275296 0.84 PTGS1 (0.33) ALDH1A1PTGS1PTGS2MGLLFAAH
SCHEMBL5276255 0.84 PTGS1 (0.33) ALDH1A1PTGS1PTGS2MGLLFAAH
SCHEMBL5274465 0.84 PTGS1 (0.33) ALDH1A1PTGS1PTGS2MGLLFAAH
SCHEMBL5275851 0.82 PTGS1 (0.33) ALDH1A1PTGS1PTGS2MGLLFAAH
SCHEMBL5275308 0.82 PKM (0.35) ALDH1A1PTGS1PTGS2MGLLFAAH
SCHEMBL5275321 0.82 PTGS1 (0.33) ALDH1A1PTGS1PTGS2MGLLFAAH

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