SCHEMBL5282970

SCHEMBL5282970

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

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
PTGS1 P23219 3/20 0.30
PTGS2 P35354 3/20 0.30
MGLL Q99685 2/20 0.30
FAAH O00519 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
SCHEMBL5281522 0.94
SCHEMBL5278806 0.88
SCHEMBL5276995 0.85 ALDH1A1 (0.35) ALDH1A1PTGS1PTGS2MGLLFAAH
SCHEMBL5286177 0.84 ALDH1A1 (0.34) ALDH1A1PTGS1PTGS2MGLLFAAH
SCHEMBL5274013 0.82 ALDH1A1 (0.33) ALDH1A1PTGS1PTGS2MGLLFAAH
SCHEMBL5274465 0.82 PTGS1 (0.33) ALDH1A1PTGS1PTGS2MGLLFAAH
SCHEMBL5283926 0.82 ALDH1A1 (0.33) ALDH1A1PTGS1PTGS2MGLLFAAH
SCHEMBL5276593 0.82 ALDH1A1 (0.33) ALDH1A1PTGS1PTGS2MGLLFAAH
SCHEMBL5276687 0.82 ALDH1A1 (0.33) ALDH1A1PTGS1PTGS2MGLLFAAH
SCHEMBL5279343 0.82 HSP90AA1 (0.31) ALDH1A1

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