SCHEMBL7009875

SCHEMBL7009875

COC(=O)c1cccc([N+](=O)[O-])c1N(C)c1ccc(-c2ccccc2C(N)=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.43
SLC6A4 P31645 3/20 0.43
ALDH1A1 P00352 8/20 0.40
MAPK1 P28482 4/20 0.40
MAPT P10636 4/20 0.40
BCAT2 O15382 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
SLC6A2 P23975 1/20 0.39
KDM4E B2RXH2 3/20 0.38
PKM P14618 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
BRAF P15056 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
ABCC4 O15439 1/20 0.37
PLIN1 O60240 1/20 0.37
CACNA1F O60840 1/20 0.37
GMNN O75496 1/20 0.37
KCNK2 O95069 1/20 0.37
ABCB11 O95342 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
SCHEMBL3974369 0.94 SLC6A3 (0.49) SLC6A3SLC6A4ALDH1A1MAPK1MAPT
SCHEMBL2598199 0.85 ALDH1A1 (0.40) SLC6A3SLC6A4ALDH1A1MAPK1MAPT
SCHEMBL7012590 0.84 SLC6A3 (0.47) SLC6A3SLC6A4ALDH1A1MAPTBCAT2
SCHEMBL28784968 0.81 ALDH1A1 (0.43) SLC6A3ALDH1A1MAPK1MAPTSMN1; SMN2
SCHEMBL7015019 0.78 LTB4R2 (0.44) SLC6A3SLC6A4ALDH1A1MAPK1MAPT
SCHEMBL3976382 0.78 SLC6A3 (0.53) SLC6A3SLC6A4ALDH1A1MAPTSMN1; SMN2
SCHEMBL7009871 0.76 HPGD (0.44) SLC6A3SLC6A4ALDH1A1SMN1; SMN2HPGD
SCHEMBL9239165 0.75 TSHR (0.51) ALDH1A1MAPK1MAPTKDM4EL3MBTL1
SCHEMBL8417432 0.75 ALDH1A1 (0.41) ALDH1A1MAPTSMN1; SMN2KDM4EL3MBTL1
SCHEMBL7477107 0.72 LTB4R2 (0.48) SLC6A3SLC6A4ALDH1A1MAPK1MAPT

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