SCHEMBL6559985

SCHEMBL6559985

O=C(Nc1ccnc2[nH]ccc12)c1ccc(CNc2ncccn2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.60
CIT O14578 1/20 0.60
PRKD3 O94806 1/20 0.60
MAP4K4 O95819 1/20 0.60
PRKCB P05771 1/20 0.60
PRKCA P17252 1/20 0.60
PRKACA P17612 1/20 0.60
CSNK2A2 P19784 1/20 0.60
MARK3 P27448 1/20 0.60
BMPR1A P36894 1/20 0.60
CSNK1A1 P48729 1/20 0.60
CLK1 P49759 1/20 0.60
GSK3A P49840 1/20 0.60
GSK3B P49841 1/20 0.60
CDK9 P50750 1/20 0.60
PRKCQ Q04759 1/20 0.60
PRKCD Q05655 1/20 0.60
ROCK1 Q13464 1/20 0.60
PKN1 Q16512 1/20 0.60
PKN2 Q16513 1/20 0.60

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
SCHEMBL6560013 0.87 ROCK2 (0.56) ROCK2CITPRKD3MAP4K4PRKCB
SCHEMBL6559162 0.85 ROCK2 (0.53) ROCK2CITPRKD3MAP4K4PRKCB
SCHEMBL6559906 0.84 ROCK2 (0.53) ROCK2CITPRKD3MAP4K4PRKCB
SCHEMBL6558139 0.83 ROCK2 (0.54) ROCK2CITPRKD3MAP4K4PRKCB
SCHEMBL6558015 0.83 ROCK2 (0.59) ROCK2CITPRKD3MAP4K4PRKCB
SCHEMBL6560225 0.82 HDAC1 (0.57) HDAC1HDAC6HDAC3HDAC2NCOR1
SCHEMBL4772895 0.82 ROCK2 (0.67) ROCK2CITPRKD3MAP4K4PRKCB
SCHEMBL17181745 0.82 ROCK2 (0.64) ROCK2CITPRKD3MAP4K4PRKCB
SCHEMBL6560213 0.81 ROCK2 (0.57) ROCK2CITPRKD3MAP4K4PRKCB
Hydrochloric Acid SCHEMBL30976603 0.81 ROCK2 (0.67) ROCK2CITPRKD3MAP4K4PRKCB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1391454-B1 Substituted benzamide compounds with antihypertensive activity MITSUBISHI TANABE PHARMA CORP (JP) 2012-05-30 EP disclosed
EP-1391454-A1 Substituted benzamide compounds with antihypertensive activity Mitsubishi Pharma Corporation (JP) 2004-02-25 EP disclosed
EP-1195372-A1 N-heterocyclic substituted benzamide derivatives with antihypertensive activity Mitsubishi Pharma Corporation (JP) 2002-04-10 EP disclosed
US-6156766-A Benzamide compounds and pharmaceutical use thereof YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2000-12-05 US disclosed
EP-0757038-A1 BENZAMIDE COMPOUND AND MEDICINAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-02-05 EP disclosed