SCHEMBL7302852

SCHEMBL7302852

Cc1ccc2oc(-c3ccccc3C(=O)OC(C)(C)C)c(Br)c2c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NPC1 O15118 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
ALOX5 P09917 4/20 0.40
CSNK2A2 P19784 2/20 0.40
CSNK2B P67870 2/20 0.40
CSNK2A1 P68400 2/20 0.40
AR P10275 1/20 0.37
TP53 P04637 1/20 0.35
PTGS2 P35354 1/20 0.35

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
SCHEMBL9318354 0.87 KDM4E (0.45) KDM4EPOLBMAPTMEN1KMT2A
SCHEMBL7302152 0.87 KDM4E (0.46) KDM4EPOLBMAPTMEN1KMT2A
SCHEMBL7303326 0.86 ALOX5 (0.38) ALOX5
SCHEMBL9309848 0.85 ALOX5 (0.53) KDM4EPOLBMEN1KMT2ANPC1
SCHEMBL7302856 0.85 AR (0.38) KDM4EPOLBMAPTMEN1KMT2A
SCHEMBL7312942 0.83 KDM4E (0.62) KDM4EPOLBMAPTMEN1KMT2A
SCHEMBL7303033 0.81 NPC1 (0.46) KDM4EPOLBMAPTMEN1KMT2A
SCHEMBL9318361 0.81 AR (0.38) KDM4EPOLBMAPTMEN1KMT2A
SCHEMBL8549279 0.75 KDM4E (0.43) KDM4EPOLBMAPTMEN1KMT2A
SCHEMBL9309270 0.75

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-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
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
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-0514193-A1 N-linked imidazolyl-methyl benzofuran derivatives with antihypotensive activity 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-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