SCHEMBL8549026

SCHEMBL8549026

O=[N+]([O-])c1ccccc1-c1oc2ccc(CBr)cc2c1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
GABRB2 P47870 1/20 0.42
GABRA4 P48169 1/20 0.42
GABRE P78334 1/20 0.42
GABRA6 Q16445 1/20 0.42
GABRG1 Q8N1C3 1/20 0.42
GABRG3 Q99928 1/20 0.42
GABRQ Q9UN88 1/20 0.42
ALDH1A1 P00352 6/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 4/20 0.38
GAA P10253 4/20 0.38

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
SCHEMBL8544494 0.84 GABRP (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9571333 0.72 GABRP (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9311227 0.70 AGTR1 (0.35)
SCHEMBL21747480 0.69 ALDH1A1 (0.52) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3956866 0.66 ALDH1A1 (0.65) ALDH1A1MEN1GAAKMT2ANPC1
SCHEMBL9859487 0.66 ALDH1A1 (0.32) ALDH1A1LMNAKMT2AUSP2MAPK1
SCHEMBL7819424 0.66 ALDH1A1 (0.57) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL23388269 0.65 AR (0.50) ALDH1A1LMNAMEN1KMT2APOLB
SCHEMBL29761026 0.65 AR (0.50) ALDH1A1LMNAMEN1KMT2APOLB
SCHEMBL10756699 0.65 L3MBTL1 (0.38) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0514198-B1 1H-Imidazol-1-yl-methyl benzofuran derivatives with the imidazolyl moiety being substituted by a cycloalkyl group GLAXO GROUP LTD (GB) 1998-08-05 EP disclosed
US-5498722-A HYPOTENSIVES GLAXO GROUP (GB) 1996-03-12 US disclosed
US-5332831-A Angiotensin antagonist GLAXO GROUP LIMITED (GB) 1994-07-26 US disclosed
US-5317023-A 2-Phenyl-(imidazo(4,5-b)pyridyl-methyl-) derivatives; hypertensive agents; cognition activators GLAXO GROUP LIMITED (GB) 1994-05-31 US disclosed
WO-1992020679-A1 BENZOFURAN DERIVATIVES GLAXO GROUP LIMITED (GB) 1992-11-26 WO disclosed
WO-1992020674-A1 1H-IMIDAZOL-1-YL-METHYL BENZOFURAN DERIVATIVES, WITH THE IMIDAZOLYL MOIETY BEING SUBSTITUTED BY A CYCLOALKYL GROUP GLAXO GROUP LIMITED (GB) 1992-11-26 WO disclosed
EP-0514197-A1 Anti-hypertensive benzofuran derivatives substituted by N-imidazolyl-methyl groups which are condensed with optionally nitrogen containing, six-membered rings GLAXO GROUP LIMITED (GB) 1992-11-19 EP disclosed
EP-0514198-A1 1H-Imidazol-1-yl-methyl benzofuran derivatives with the imidazolyl moiety being substituted by a cycloalkyl group GLAXO GROUP LIMITED (GB) 1992-11-19 EP disclosed