SCHEMBL5281992

SCHEMBL5281992

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

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
SLC9A1 P19634 4/20 0.35
TOP2A P11388 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
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

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
SCHEMBL5279512 0.94 SLC9A1 (0.38) ALDH1A1SLC9A1LMNAHTTCYP3A4
SCHEMBL5279750 0.91 ALDH1A1 (0.37) ALDH1A1SLC9A1TOP2ALMNATSHR
SCHEMBL5283639 0.89 SLC9A1 (0.33) SLC9A1TOP2AHCAR3GRM2CNR1
SCHEMBL5278055 0.87 CNR1 (0.36) SLC9A1TOP2ALMNAMAPTHCAR3
SCHEMBL5280352 0.85 SLC9A1 (0.35) ALDH1A1SLC9A1TOP2AHCAR3GRM2
SCHEMBL5278824 0.84 ALDH1A1 (0.35) ALDH1A1TSHRCYP3A4MAPK1
SCHEMBL5282471 0.83 SLC9A1 (0.36) ALDH1A1SLC9A1LMNAMAPTHCAR3
SCHEMBL5279959 0.83 SLC9A1 (0.33) SLC9A1TOP2AHCAR3GRM2CNR1
SCHEMBL5281480 0.81 CNR1 (0.40) ALDH1A1SLC9A1LMNAMAPTHCAR3
SCHEMBL5277083 0.80 TOP2A (0.38) ALDH1A1SLC9A1TOP2ALMNAHTT

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