SCHEMBL5273261

SCHEMBL5273261

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

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.39
SMN1; SMN2 Q16637 1/20 0.36
CNR1 P21554 2/20 0.35
CNR2 P34972 2/20 0.35
ACHE P22303 1/20 0.35
HCAR3 P49019 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
LMNA P02545 1/20 0.32
TOP2A P11388 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
SCHEMBL5276855 0.94 SLC9A1 (0.39) SLC9A1SMN1; SMN2CNR1CNR2ACHE
SCHEMBL5279614 0.94 SMN1; SMN2 (0.38) SLC9A1SMN1; SMN2CNR1CNR2ACHE
SCHEMBL5274445 0.90 SLC9A1 (0.40) SLC9A1CNR1CNR2ACHEHCAR3
SCHEMBL5278923 0.88 SLC9A1 (0.36) SLC9A1SMN1; SMN2CNR1CNR2ACHE
SCHEMBL5275930 0.88 SMN1; SMN2 (0.39) SLC9A1SMN1; SMN2HCAR3ALDH1A1TOP2A
SCHEMBL5278499 0.85 SMN1; SMN2 (0.32) SLC9A1SMN1; SMN2ALDH1A1TOP2A
SCHEMBL5275035 0.85 SLC9A1 (0.37) SLC9A1CNR1CNR2ACHEHCAR3
SCHEMBL5286986 0.85 SLC9A1 (0.37) SLC9A1CNR1CNR2ACHEHCAR3
SCHEMBL5278791 0.83 SLC9A1 (0.37) SLC9A1SMN1; SMN2CNR1CNR2ACHE
SCHEMBL5274820 0.83 SMN1; SMN2 (0.37) SMN1; SMN2ALDH1A1

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