SCHEMBL7009871

SCHEMBL7009871

COC(=O)c1cccc([N+](=O)[O-])c1NCc1ccc(-c2ccccc2C(N)=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.44
BDKRB1 P46663 11/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 2/20 0.42
RAB9A P51151 1/20 0.42
SLC6A3 Q01959 3/20 0.42
SLC6A4 P31645 2/20 0.42

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
SCHEMBL3974372 0.94 BDKRB1 (0.48) HPGDBDKRB1SMN1; SMN2ALDH1A1SLC6A3
SCHEMBL31722799 0.85 BDKRB1 (0.47) HPGDBDKRB1SMN1; SMN2ALDH1A1
SCHEMBL2598198 0.85 BDKRB1 (0.47) HPGDBDKRB1SMN1; SMN2ALDH1A1
SCHEMBL7012588 0.84 BDKRB1 (0.47) BDKRB1ALDH1A1SLC6A3SLC6A4
SCHEMBL3669344 0.82 MAPT (0.59) ALDH1A1RAB9A
SCHEMBL3180920 0.82 HPGD (0.47) HPGDSMN1; SMN2ALDH1A1RAB9ASLC6A3
SCHEMBL1271609 0.82 MAPT (0.54) HPGDSMN1; SMN2ALDH1A1RAB9A
SCHEMBL12697048 0.81 ALDH1A1 (0.48) HPGDBDKRB1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL9196004 0.79 BDKRB1 (0.42) HPGDBDKRB1SMN1; SMN2ALDH1A1
SCHEMBL20541747 0.79 HPGD (0.45) HPGDSMN1; SMN2ALDH1A1

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 8 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
US-5243054-A Hypotensive agents, cardiovascular disorders or nervous system disorders TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-09-07 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