SCHEMBL5280908

SCHEMBL5280908

CCCCCCn1nnc([N+](=O)[O-])c1C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 8/20 0.45
CNR2 P34972 8/20 0.45
SLC9A1 P19634 3/20 0.38
ACHE P22303 1/20 0.34
HCAR3 P49019 1/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPT P10636 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
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
SCHEMBL5279016 0.94 CNR1 (0.41) CNR1CNR2SLC9A1ACHEHCAR3
SCHEMBL5278248 0.88 CNR1 (0.35) CNR1CNR2SLC9A1HCAR3ALDH1A1
SCHEMBL5280072 0.87 SLC9A1 (0.38) CNR1CNR2SLC9A1ACHEHCAR3
SCHEMBL5276001 0.87 SLC9A1 (0.38) CNR1CNR2SLC9A1ACHEHCAR3
SCHEMBL5272830 0.85 SLC9A1 (0.36) CNR1CNR2SLC9A1ACHEHCAR3
SCHEMBL5287585 0.85 SLC9A1 (0.36) CNR1CNR2SLC9A1ACHEHCAR3
SCHEMBL5275582 0.82 ALDH1A1 (0.32) CNR1CNR2ALDH1A1MAPTLMNA
SCHEMBL5282105 0.81 ALDH1A1 (0.35) CNR1CNR2SLC9A1ACHEHCAR3
SCHEMBL5274455 0.81 SLC9A1 (0.35) CNR1CNR2SLC9A1ACHEHCAR3
SCHEMBL5274630 0.81 SLC9A1 (0.41) CNR1CNR2SLC9A1ACHEHCAR3

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