SCHEMBL8544494

SCHEMBL8544494

O=[N+]([O-])c1ccccc1-c1oc2ccc(CBr)cc2c1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.48
GABRD O14764 1/20 0.48
GABRA1 P14867 1/20 0.48
GABRB1 P18505 1/20 0.48
GABRG2 P18507 1/20 0.48
GABRB3 P28472 1/20 0.48
GABRA5 P31644 1/20 0.48
GABRA3 P34903 1/20 0.48
GABRA2 P47869 1/20 0.48
GABRB2 P47870 1/20 0.48
GABRA4 P48169 1/20 0.48
GABRE P78334 1/20 0.48
GABRA6 Q16445 1/20 0.48
GABRG1 Q8N1C3 1/20 0.48
GABRG3 Q99928 1/20 0.48
GABRQ Q9UN88 1/20 0.48
ALDH1A1 P00352 6/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 6/20 0.41
MEN1 O00255 5/20 0.41

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
SCHEMBL8549026 0.84 GABRP (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9571333 0.75 GABRP (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7441078 0.75 KDM4E (0.34) ALDH1A1KMT2AKDM4E
SCHEMBL9318281 0.74 ALDH1A1 (0.40) ALDH1A1MAPT
SCHEMBL8544446 0.73 HTT (0.45) ALDH1A1KMT2AKDM4EABCG2
SCHEMBL21747480 0.72 ALDH1A1 (0.52) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9313939 0.71 ALOX5 (0.50) ALDH1A1KMT2AMEN1GAAL3MBTL1
SCHEMBL7303326 0.71 ALOX5 (0.38)
SCHEMBL7314770 0.71 TSHR (0.45) ALDH1A1LMNAKMT2AL3MBTL1NPC1
SCHEMBL8550091 0.70 MEN1 (0.38) ALDH1A1LMNAKMT2AMEN1

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 5 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
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-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