SCHEMBL5280352

SCHEMBL5280352

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

nearest known ligand 0.36

Predicted protein targets (top 10)

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
CNR1 P21554 2/20 0.31
CNR2 P34972 2/20 0.31
ACHE P22303 1/20 0.30
ALDH1A1 P00352 1/20 0.30
ATM Q13315 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL5274192 0.94 SLC9A1 (0.38) SLC9A1HCAR3CNR1CNR2ACHE
SCHEMBL5280161 0.91 ALDH1A1 (0.32) SLC9A1TOP2AALDH1A1
SCHEMBL5279959 0.89 SLC9A1 (0.33) SLC9A1TOP2AHCAR3GRM2CNR1
SCHEMBL5278055 0.87 CNR1 (0.36) SLC9A1TOP2AHCAR3GRM2CNR1
SCHEMBL5281992 0.85 ALDH1A1 (0.35) SLC9A1TOP2AHCAR3GRM2CNR1
SCHEMBL5279157 0.84 NPC1 (0.31)
SCHEMBL5280777 0.83 SLC9A1 (0.36) SLC9A1HCAR3CNR1CNR2ACHE
SCHEMBL5283639 0.83 SLC9A1 (0.33) SLC9A1TOP2AHCAR3GRM2CNR1
SCHEMBL5281480 0.81 CNR1 (0.40) SLC9A1HCAR3CNR1CNR2ACHE
SCHEMBL5274598 0.80 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