SCHEMBL7302856

SCHEMBL7302856

Cc1ccc2c(-c3ccccc3C(=O)OC(C)(C)C)oc(Br)c2c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.38
KMT2A Q03164 6/20 0.38
NPC1 O15118 5/20 0.38
MEN1 O00255 5/20 0.38
KDM4E B2RXH2 2/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 3/20 0.33
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
CSNK2A1 P68400 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HTT P42858 2/20 0.32
ALOX5 P09917 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.31

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
SCHEMBL7302158 0.87 SLC6A3 (0.46) KMT2ANPC1MEN1KDM4EPOLB
SCHEMBL9318361 0.86 AR (0.38) ARKMT2ANPC1MEN1KDM4E
SCHEMBL7303338 0.85 AR (0.34) ARKMT2ANPC1MEN1RAB9A
SCHEMBL7302852 0.85 KDM4E (0.44) ARKMT2ANPC1MEN1KDM4E
SCHEMBL9309854 0.85 TSHR (0.47) KMT2ANPC1MEN1KDM4ERAB9A
SCHEMBL7312950 0.83 KDM4E (0.53) KMT2ANPC1MEN1KDM4EPOLB
SCHEMBL7303042 0.81 NPC1 (0.47) KMT2ANPC1MEN1POLBRAB9A
SCHEMBL9318354 0.79 KDM4E (0.45) ARKMT2ANPC1MEN1KDM4E
SCHEMBL9318344 0.73 CYP4F2 (0.36) ARKMT2ASLC6A3HTTALOX5
SCHEMBL9313945 0.73 CYP4F2 (0.48) KMT2AMEN1KDM4ERAB9AALOX5

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 12 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
US-5310927-A Hypotensive agents; cognition activators; imidazolyl-2-aryl derivatives GLAXO GROUP LIMITED (GB) 1994-05-10 US disclosed
CN-1079223-A Benzofuran derivative GLAXO GROUP LTD (GB) 1993-12-08 CN disclosed
US-5252593-A Hypotensive agents, cognition activators GLAXO GROUP LIMITED (GB) 1993-10-12 US disclosed
WO-1992020679-A1 BENZOFURAN DERIVATIVES 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-0514217-A1 Antihypertensive benzofuran derivatives carrying 4-pyrazolylmethyl substituents GLAXO GROUP LIMITED (GB) 1992-11-19 EP disclosed
EP-0514193-A1 N-linked imidazolyl-methyl benzofuran derivatives with antihypotensive activity 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