SCHEMBL7018023

SCHEMBL7018023

ClC(Cl)(Cl)c1nc(-c2ccc(-c3ccc(CBr)cc3)cc2)no1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 17/20 0.43
HDAC1 Q13547 14/20 0.43
HDAC8 Q9BY41 14/20 0.43
HDAC4 P56524 4/20 0.43
HDAC5 Q9UQL6 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.39

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
SCHEMBL7018242 0.89 L3MBTL1 (0.41) HDAC6HDAC1HDAC8HDAC4
SCHEMBL26968035 0.86 HDAC6 (0.48) HDAC6HDAC1HDAC8HDAC4
SCHEMBL1890535 0.84 GPR55 (0.38) HDAC6HDAC1HDAC8HDAC4HDAC5
SCHEMBL31375480 0.83 AOC3 (0.47) HDAC6HDAC1HDAC8HDAC4
SCHEMBL8362557 0.83 NOTUM (0.47) HDAC6HDAC1HDAC8HDAC4HDAC5
SCHEMBL18795958 0.83 HDAC6 (0.60) HDAC6HDAC1HDAC8HDAC4
SCHEMBL7019255 0.79 NR1H4 (0.54) HDAC6HDAC1HDAC4
SCHEMBL17377373 0.78 NOTUM (0.53) HDAC6HDAC4SIRT2
SCHEMBL4227737 0.77 NR1H4 (0.56) HDAC6HDAC1HDAC4
SCHEMBL3634573 0.76 NR1H4 (0.57) HDAC4

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0520423-B1 Heterocyclic compounds, their production and use as angiotensin II antagonists TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-05-14 EP disclosed
US-6100252-A SPECIFIED COMPOUNDS INCLUDING METHYL 2-BUTYL-1-((2'-(2-OXO-3H-1,2,3,5-OXATHIADIAZOL-4-YL)BIPHENYL) METHYL)-BENZIMIDAZOLE-7-CARBOXYLATE; USE TO TREAT CIRCULATORY DISEASES SUCH AS HYPERTENSIVE DISEASES AND HEART DISEASES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-08-08 US disclosed
US-5883111-A STRONG AND LONG-LASTING ACTION BY ORAL ADMINISTRATION; HYPOTENSIVE AGENTS; CARDIOTONIC AGENTS; ALZHEIMER'S DISEASE; TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-03-16 US disclosed
US-5736555-A HYPOTENSIVE AGENTS; FDA ORANGE BOOK LISTED PATENT FOR AZILSARTAN MEDOXOMIL TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-04-07 US disclosed
US-5583141-A ADMINISTERING AS THERAPEUTIC AGENTS OF CIRCULATORY DISEASES; AZILSARTAN; ANGIOTENSIN II ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-12-10 US disclosed
US-5354766-A 2-Ethoxy-1-((2'(2,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl) biphenyl-4-yl)methyl)benzimidazole-7-carboxylic acid; hypotensive agents; CNS activity TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-10-11 US disclosed
EP-0520423-A2 Heterocyclic compounds, their production and use as angiotensin II antagonists TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-12-30 EP disclosed