SCHEMBL5280072

SCHEMBL5280072

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

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 3/20 0.38
CNR1 P21554 3/20 0.37
CNR2 P34972 3/20 0.37
ACHE P22303 1/20 0.34
HCAR3 P49019 1/20 0.33
ALDH1A1 P00352 3/20 0.32
MAPT P10636 2/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL5274455 0.94 SLC9A1 (0.35) SLC9A1CNR1CNR2ACHEHCAR3
SCHEMBL5272830 0.89 SLC9A1 (0.36) SLC9A1CNR1CNR2ACHEHCAR3
SCHEMBL5284361 0.88 ALDH1A1 (0.33) SLC9A1ALDH1A1MAPTLMNAMEN1
SCHEMBL5280908 0.87 CNR1 (0.45) SLC9A1CNR1CNR2ACHEHCAR3
SCHEMBL5276001 0.86 SLC9A1 (0.38) SLC9A1CNR1CNR2ACHEHCAR3
SCHEMBL5287585 0.84 SLC9A1 (0.36) SLC9A1CNR1CNR2ACHEHCAR3
SCHEMBL5278467 0.83 SLC9A1 (0.33) SLC9A1CNR1CNR2HCAR3ALDH1A1
SCHEMBL5280512 0.82 ALDH1A1 (0.33) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL5281712 0.81 SLC9A1 (0.40) SLC9A1CNR1CNR2ACHEHCAR3
SCHEMBL5279016 0.81 CNR1 (0.41) SLC9A1CNR1CNR2ACHEHCAR3

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