SCHEMBL5282262

SCHEMBL5282262

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

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.35
TOP2A P11388 1/20 0.33
HCAR3 P49019 1/20 0.32
GRM2 Q14416 1/20 0.32
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
CNR1 P21554 1/20 0.30
ACHE P22303 1/20 0.30
CNR2 P34972 1/20 0.30
NPC1 O15118 1/20 0.30
HPGD P15428 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL5281258 0.94 SLC9A1 (0.38) SLC9A1HCAR3MEN1MAPTKMT2A
SCHEMBL5278205 0.91 LMNA (0.33) SLC9A1TOP2AMEN1MAPTKMT2A
SCHEMBL5279050 0.84 MAPT (0.33) MAPTNPC1
SCHEMBL5286658 0.78 SLC9A1 (0.38) SLC9A1TOP2AHCAR3GRM2MEN1
SCHEMBL5277364 0.78 SLC9A1 (0.38) SLC9A1TOP2AHCAR3GRM2MEN1
SCHEMBL5284602 0.78 GRM2 (0.41) SLC9A1TOP2AHCAR3GRM2MEN1
SCHEMBL5278791 0.77 SLC9A1 (0.37) SLC9A1TOP2AHCAR3GRM2CNR1
SCHEMBL5277083 0.77 TOP2A (0.38) SLC9A1TOP2AHCAR3GRM2MEN1
SCHEMBL5274598 0.77 SLC9A1 (0.37) SLC9A1TOP2AHCAR3GRM2MEN1
SCHEMBL5274847 0.77 SLC9A1 (0.35) SLC9A1TOP2AHCAR3GRM2MEN1

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