SCHEMBL7010034

SCHEMBL7010034

Cc1ccc(-c2cccc(C(N)=NO)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.51
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
KDM1A O60341 5/20 0.43
CSF1R P07333 1/20 0.43
FLT1 P17948 1/20 0.43
FLT3 P36888 1/20 0.43
CSNK1D P48730 1/20 0.41
CSNK1E P49674 1/20 0.41
MAPK14 Q16539 1/20 0.41
FFAR2 O15552 1/20 0.41
RECQL P46063 1/20 0.39
PTPN5 P54829 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
CYP2D6 P10635 1/20 0.39
HIF1A Q16665 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
SCHEMBL7014879 0.81 CYP2D6 (0.50) KDM1ACSNK1DCSNK1EMAPK14RECQL
SCHEMBL14239488 0.81 CYP2D6 (0.50) KDM1ACSNK1DCSNK1EMAPK14RECQL
SCHEMBL103985 0.80 PARP1 (0.59) KDM1AHDAC8
SCHEMBL103984 0.80 PARP1 (0.59) KDM1AHDAC8
SCHEMBL29478724 0.80 PARP1 (0.59) KDM1AHDAC8
SCHEMBL6841043 0.80 PARP1 (0.59) KDM1AHDAC8
SCHEMBL3727219 0.79 DHODH (0.71) DHODHCSF1RFLT1FLT3
SCHEMBL17696875 0.79 PRSS1 (0.72) DHODHPRSS1PRSS2PRSS3CSF1R
SCHEMBL10173256 0.75 CYP2D6 (0.55) KDM1ARECQLCYP2D6HIF1A
SCHEMBL102214 0.75 CYP2D6 (0.55) KDM1ARECQLCYP2D6HIF1A

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