SCHEMBL8544448

SCHEMBL8544448

COC(=O)c1ccccc1-c1oc(Br)c2cc(CBr)ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
HTT P42858 1/20 0.46
SLC6A3 Q01959 5/20 0.43
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
SLC6A4 P31645 3/20 0.40
SLC6A2 P23975 1/20 0.40
ABCB1 P08183 1/20 0.38
HPGD P15428 2/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.37
ATM Q13315 2/20 0.37
USP2 O75604 2/20 0.37
CFTR P13569 1/20 0.37
PAX8 Q06710 1/20 0.37
GOPC Q9HD26 1/20 0.37

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
SCHEMBL27350253 0.92 KMT2A (0.45) KMT2AHTTSLC6A3ALDH1A1KDM4E
SCHEMBL9313945 0.89 CYP4F2 (0.48) KMT2AALDH1A1KDM4ERAB9AHSD17B10
SCHEMBL7303338 0.88 AR (0.34) KMT2AHTTSLC6A3ALDH1A1RAB9A
SCHEMBL9320112 0.87 SLC6A3 (0.43) KMT2AHTTSLC6A3ALDH1A1KDM4E
SCHEMBL9710721 0.86 ALDH1A1 (0.47) KMT2AHTTALDH1A1KDM4ERAB9A
SCHEMBL7314778 0.85 TSHR (0.46) KMT2AHTTSLC6A3ALDH1A1SLC6A2
SCHEMBL8544446 0.85 HTT (0.45) KMT2AHTTSLC6A3ALDH1A1KDM4E
SCHEMBL7302158 0.84 SLC6A3 (0.46) KMT2AHTTSLC6A3ALDH1A1KDM4E
SCHEMBL9318027 0.82 BDKRB1 (0.41) CYP4F2CYP4A11
SCHEMBL27536359 0.81 SLC6A3 (0.41) KMT2AHTTSLC6A3ALDH1A1KDM4E

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