SCHEMBL5281852

SCHEMBL5281852

CCCCCCn1nnc(C)c1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.41
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36
ACHE P22303 1/20 0.36
HCAR3 P49019 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.34
LMNA P02545 1/20 0.33
TOP2A P11388 1/20 0.32

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
SCHEMBL5277364 0.94 SLC9A1 (0.38) SLC9A1CNR1CNR2ACHEHCAR3
SCHEMBL5279828 0.87 SLC9A1 (0.35) SLC9A1HCAR3ALDH1A1MAPTLMNA
SCHEMBL5273507 0.84 SLC9A1 (0.41) SLC9A1CNR1CNR2ACHEHCAR3
SCHEMBL5288803 0.84 SLC9A1 (0.41) SLC9A1CNR1CNR2ACHEHCAR3
SCHEMBL5279908 0.83 SLC9A1 (0.40) SLC9A1CNR1CNR2ACHEHCAR3
SCHEMBL5274445 0.83 SLC9A1 (0.40) SLC9A1CNR1CNR2ACHEHCAR3
SCHEMBL5277272 0.83 SLC9A1 (0.40) SLC9A1CNR1CNR2ACHEHCAR3
SCHEMBL5276855 0.82 SLC9A1 (0.39) SLC9A1CNR1CNR2ACHEHCAR3
SCHEMBL5273261 0.82 SLC9A1 (0.39) SLC9A1CNR1CNR2ACHEHCAR3
SCHEMBL5281480 0.81 CNR1 (0.40) SLC9A1CNR1CNR2ACHEHCAR3

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