SCHEMBL6366289

SCHEMBL6366289

O=[N+]([O-])c1ccccc1-c1ncnn1CC(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.48
ALDH1A1 P00352 4/20 0.43
TDP1 Q9NUW8 1/20 0.43
GFER P55789 1/20 0.39
HSD17B10 Q99714 1/20 0.38
HSD11B1 P28845 1/20 0.38
MGAM O43451 2/20 0.36
GAA P10253 2/20 0.36
SI P14410 2/20 0.36
MGAM2 Q2M2H8 2/20 0.36
P2RX7 Q99572 1/20 0.36
CFTR P13569 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
MASP2 O00187 1/20 0.35
F2 P00734 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
PDE4B Q07343 1/20 0.35
ENPP1 P22413 1/20 0.35
RAB9A P51151 2/20 0.35

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
SCHEMBL6366641 0.82 ADRA1D (0.46) ADRA1AALDH1A1TDP1GFERHSD17B10
SCHEMBL6367226 0.80 ADRA1D (0.47) ADRA1AALDH1A1TDP1GFERHSD17B10
SCHEMBL11043863 0.79 ALDH1A1 (0.55) ALDH1A1TDP1GFERHSD17B10HSD11B1
SCHEMBL6366927 0.78 ADRA1D (0.49) ADRA1AALDH1A1TDP1GFERHSD17B10
SCHEMBL6366493 0.77 ADRA1A (0.48) ADRA1AALDH1A1TDP1HSD17B10HSD11B1
SCHEMBL6372007 0.75 HSD11B1 (0.48) ADRA1AALDH1A1TDP1GFERHSD17B10
SCHEMBL6367222 0.71 ADRA1D (0.45) ADRA1AALDH1A1TDP1GFERHSD17B10
SCHEMBL23152920 0.67 SMN1; SMN2 (0.39) ALDH1A1HSD17B10GAAL3MBTL1HTT
SCHEMBL1287837 0.65 ALDH1A1 (0.74) ALDH1A1TDP1HSD17B10MGAMGAA
SCHEMBL30535903 0.65 ALDH1A1 (0.74) ALDH1A1TDP1HSD17B10MGAMGAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6884801-B1 Imidazoline derivatives as alpha-1A adrenoceptor ligands SMITHKLINE BEECHAM CORPORATION (US) 2005-04-26 US disclosed
EP-1175406-A1 IMIDAZOLINE DERIVATIVES AS ALPHA-1A ADRENOCEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2002-01-30 EP disclosed
WO-2000066563-A1 IMIDAZOLINE DERIVATIVES AS ALPHA-1A ADRENOCEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2000-11-09 WO disclosed