SCHEMBL5274455

SCHEMBL5274455

CCCCn1nnc([N+](=O)[O-])c1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.35
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
TOP2A P11388 1/20 0.33
ALDH1A1 P00352 2/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KMT2A Q03164 2/20 0.32
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPK1 P28482 1/20 0.32
HCAR3 P49019 1/20 0.32
GRM2 Q14416 1/20 0.32
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
BLM P54132 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ACHE P22303 1/20 0.30
CYP2C19 P33261 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
SCHEMBL5280072 0.94 SLC9A1 (0.38) SLC9A1CNR1CNR2ALDH1A1ATM
SCHEMBL5284361 0.91 ALDH1A1 (0.33) SLC9A1TOP2AALDH1A1KMT2AMAPT
SCHEMBL5278467 0.89 SLC9A1 (0.33) SLC9A1CNR1CNR2TOP2AALDH1A1
SCHEMBL5279016 0.87 CNR1 (0.41) SLC9A1CNR1CNR2TOP2AALDH1A1
SCHEMBL5282105 0.85 ALDH1A1 (0.35) SLC9A1CNR1CNR2TOP2AALDH1A1
SCHEMBL5280512 0.84 ALDH1A1 (0.33) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL5272830 0.83 SLC9A1 (0.36) SLC9A1CNR1CNR2ALDH1A1ATM
SCHEMBL5282833 0.83 ALDH1A1 (0.34) SLC9A1CNR1CNR2TOP2AALDH1A1
SCHEMBL5280908 0.81 CNR1 (0.45) SLC9A1CNR1CNR2ALDH1A1ATM
SCHEMBL5276739 0.80 SLC9A1 (0.37) SLC9A1CNR1CNR2TOP2AALDH1A1

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