SCHEMBL5281593

SCHEMBL5281593

CCCCCCn1nnc([N+](=O)[O-])c1CCC

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.39
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 4/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 2/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL5278062 0.94 SLC9A1 (0.39) SLC9A1CNR1CNR2ACHEHCAR3
SCHEMBL5275423 0.94 SLC9A1 (0.36) SLC9A1CNR1CNR2ACHEHCAR3
SCHEMBL5274060 0.90 SLC9A1 (0.40) SLC9A1CNR1CNR2ACHEHCAR3
SCHEMBL5281679 0.88 SLC9A1 (0.36) SLC9A1CNR1CNR2ACHEHCAR3
SCHEMBL5277962 0.88 SMN1; SMN2 (0.36) SLC9A1HCAR3ALDH1A1SMN1; SMN2MAPT
SCHEMBL5274165 0.85 GRIA4 (0.35) SLC9A1ALDH1A1SMN1; SMN2MAPTATM
SCHEMBL5280264 0.85 SLC9A1 (0.37) SLC9A1CNR1CNR2ACHEHCAR3
SCHEMBL5283505 0.85 SLC9A1 (0.37) SLC9A1CNR1CNR2ACHEHCAR3
SCHEMBL5274531 0.83 SLC9A1 (0.37) SLC9A1CNR1CNR2ACHEHCAR3
SCHEMBL5278080 0.83 SMN1; SMN2 (0.34) ALDH1A1SMN1; SMN2MAPTLMNAMEN1

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