SCHEMBL5283435

SCHEMBL5283435

CCCCn1nnc(C(C)C)c1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.36
TOP2A P11388 1/20 0.34
HCAR3 P49019 1/20 0.33
GRM2 Q14416 1/20 0.33
CNR1 P21554 1/20 0.31
ACHE P22303 1/20 0.31
CNR2 P34972 1/20 0.31
LMNA P02545 2/20 0.30
GLA P06280 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
APOBEC3G Q9HC16 1/20 0.30

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
SCHEMBL5279499 0.94 SLC9A1 (0.38) SLC9A1HCAR3CNR1ACHECNR2
SCHEMBL5280863 0.91 LMNA (0.34) SLC9A1TOP2AHCAR3LMNA
SCHEMBL5282533 0.84 LMNA (0.33) LMNA
SCHEMBL5286658 0.80 SLC9A1 (0.38) SLC9A1TOP2AHCAR3GRM2CNR1
SCHEMBL5277364 0.80 SLC9A1 (0.38) SLC9A1TOP2AHCAR3GRM2CNR1
SCHEMBL5284602 0.80 GRM2 (0.41) SLC9A1TOP2AHCAR3GRM2CNR1
SCHEMBL5276221 0.79 SLC9A1 (0.34) SLC9A1TOP2AHCAR3GRM2CNR1
SCHEMBL5278791 0.78 SLC9A1 (0.37) SLC9A1TOP2AHCAR3GRM2CNR1
SCHEMBL5277083 0.78 TOP2A (0.38) SLC9A1TOP2AHCAR3GRM2CNR1
SCHEMBL5274598 0.78 SLC9A1 (0.37) SLC9A1TOP2AHCAR3GRM2CNR1

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