SCHEMBL5281480

SCHEMBL5281480

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

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.40
CNR2 P34972 6/20 0.40
SLC9A1 P19634 4/20 0.38
ACHE P22303 1/20 0.34
MAPT P10636 2/20 0.33
HCAR3 P49019 1/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 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
SCHEMBL5278055 0.94 CNR1 (0.36) CNR1CNR2SLC9A1ACHEMAPT
SCHEMBL5280475 0.88 MAPT (0.36) CNR1CNR2SLC9A1MAPTHCAR3
SCHEMBL5279512 0.87 SLC9A1 (0.38) CNR1CNR2SLC9A1ACHEMAPT
SCHEMBL5274192 0.87 SLC9A1 (0.38) CNR1CNR2SLC9A1ACHEMAPT
SCHEMBL5280777 0.85 SLC9A1 (0.36) CNR1CNR2SLC9A1ACHEMAPT
SCHEMBL5282471 0.85 SLC9A1 (0.36) CNR1CNR2SLC9A1ACHEMAPT
SCHEMBL5281565 0.82 MAPT (0.35) MAPTALDH1A1
SCHEMBL5280352 0.81 SLC9A1 (0.35) CNR1CNR2SLC9A1ACHEHCAR3
SCHEMBL5281992 0.81 ALDH1A1 (0.35) CNR1CNR2SLC9A1ACHEMAPT
SCHEMBL5288803 0.81 SLC9A1 (0.41) CNR1CNR2SLC9A1ACHEMAPT

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