SCHEMBL5284927

SCHEMBL5284927

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

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.31
PTGS1 P23219 3/20 0.31
PTGS2 P35354 3/20 0.31
MGLL Q99685 2/20 0.31
FAAH O00519 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL5277386 0.94
SCHEMBL5285512 0.90 HSP90AA1 (0.30) HSP90AA1
SCHEMBL5275851 0.89 PTGS1 (0.33) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL5277389 0.89
SCHEMBL5283195 0.86 PTGS1 (0.31) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL5275208 0.84
SCHEMBL5277266 0.84
SCHEMBL5274249 0.83
SCHEMBL5281848 0.83
SCHEMBL5282579 0.82 PTGS1 (0.33) PTGS1PTGS2MGLLFAAHALDH1A1

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