SCHEMBL7007988

SCHEMBL7007988

Cc1ccc(-c2ccccc2C(=O)NNC(N)=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.48
RAB9A P51151 1/20 0.48
BCAT2 O15382 1/20 0.47
CHRNB2 P17787 2/20 0.46
CHRNB4 P30926 2/20 0.46
CHRNA3 P32297 2/20 0.46
CHRNA4 P43681 2/20 0.46
HDAC7 Q8WUI4 1/20 0.45
KIF11 P52732 1/20 0.45
CA9 Q16790 4/20 0.43
CA1 P00915 3/20 0.43
SLC6A3 Q01959 3/20 0.43
SLC6A4 P31645 2/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CA12 O43570 1/20 0.43
POLB P06746 1/20 0.42
CA2 P00918 1/20 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
SCHEMBL9463814 0.91 CA1 (0.55) L3MBTL1RAB9ABCAT2CHRNB2CHRNB4
SCHEMBL3491462 0.83 CTSD (0.53) L3MBTL1BCAT2CHRNB2CHRNB4CHRNA3
SCHEMBL13845096 0.81 HDAC7 (0.66) L3MBTL1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL8364726 0.81 HDAC7 (0.70) L3MBTL1RAB9ABCAT2CHRNB2CHRNB4
SCHEMBL6004326 0.81 BCAT2 (0.71) RAB9ABCAT2SLC6A3SLC6A4ALDH1A1
SCHEMBL7016057 0.80 L3MBTL1 (0.50) L3MBTL1RAB9ACHRNB2CHRNB4CHRNA3
SCHEMBL31393753 0.77 CHRNB2 (0.78) L3MBTL1RAB9ACHRNB2CHRNB4CHRNA3
SCHEMBL7303110 0.77 MAPT (0.54) L3MBTL1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL7082947 0.77 CTSD (0.46) L3MBTL1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6793651 0.77 NPC1 (0.63) L3MBTL1RAB9ACHRNB2CHRNB4CHRNA3

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