SCHEMBL8544446

SCHEMBL8544446

COC(=O)c1ccccc1-c1oc2ccc(CBr)cc2c1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
SLC6A3 Q01959 4/20 0.42
ALOX5 P09917 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SLC6A4 P31645 3/20 0.39
SLC6A2 P23975 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
ATM Q13315 1/20 0.38
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
AGTR1 P30556 1/20 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
SCHEMBL9313939 0.89 ALOX5 (0.50) KMT2AALOX5KDM4EALDH1A1
SCHEMBL9320103 0.89 SLC6A3 (0.43) HTTKMT2ASLC6A3ALOX5KDM4E
SCHEMBL7303326 0.88 ALOX5 (0.38) ALOX5AGTR1
SCHEMBL7314770 0.86 TSHR (0.45) KMT2ASLC6A3ALOX5ALDH1A1SLC6A2
SCHEMBL8544448 0.85 KMT2A (0.46) HTTKMT2ASLC6A3KDM4EALDH1A1
SCHEMBL7302152 0.85 KDM4E (0.46) HTTKMT2ASLC6A3ALOX5KDM4E
SCHEMBL9318021 0.83 ALOX5 (0.44) ALOX5
SCHEMBL9320112 0.82 SLC6A3 (0.43) HTTKMT2ASLC6A3KDM4EALDH1A1
SCHEMBL9318281 0.78 ALDH1A1 (0.40) ALDH1A1
SCHEMBL9571330 0.78 CYP4F2 (0.53) KMT2AALOX5KDM4EALDH1A1

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 11 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-5374646-A Treatment or prophylasix of hypertension and diseases associated with cognitive disorders GLAXO GROUP LIMITED (GB) 1994-12-20 US disclosed
US-5332831-A Angiotensin antagonist GLAXO GROUP LIMITED (GB) 1994-07-26 US disclosed
EP-0559724-A1 BENZOFURAN AND BENZTHIOPHENE DERIVATIVES GLAXO GROUP LIMITED (GB) 1993-09-15 EP 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
WO-1992016552-A1 1-IMIDAZOLGEMETHYL BENZOFURAN DERIVATIVES AS INHIBITORS OF ANGIOTENSIN II ACTIVITY GLAXO GROUP LIMITED (GB) 1992-10-01 WO disclosed
EP-0505954-A1 N-Imidazolylmethyl benzofuran derivatives as inhibitors of angiotensin II activity GLAXO GROUP LIMITED (GB) 1992-09-30 EP disclosed
WO-1992009600-A1 BENZOFURAN AND BENZTHIOPHENE DERIVATIVES GLAXO GROUP LIMITED (GB) 1992-06-11 WO disclosed
EP-0434249-A2 Benzofuran derivatives GLAXO GROUP LIMITED (GB) 1991-06-26 EP disclosed