SCHEMBL6559053

SCHEMBL6559053

CCCNC(=N)NCc1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 6/20 0.54
ROCK1 Q13464 5/20 0.54
MAP4K4 O95819 3/20 0.54
CSNK1A1 P48729 3/20 0.54
TAOK1 Q7L7X3 3/20 0.54
PRKD3 O94806 3/20 0.54
PRKACA P17612 3/20 0.54
PRKCQ Q04759 3/20 0.54
PRKCD Q05655 2/20 0.54
PKN2 Q16513 2/20 0.54
PRKD2 Q9BZL6 2/20 0.54
GSK3B P49841 2/20 0.54
CDK9 P50750 2/20 0.54
CIT O14578 1/20 0.54
PRKCB P05771 1/20 0.54
PRKCA P17252 1/20 0.54
CSNK2A2 P19784 1/20 0.54
MARK3 P27448 1/20 0.54
BMPR1A P36894 1/20 0.54
CLK1 P49759 1/20 0.54

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
SCHEMBL6558133 0.94 ROCK2 (0.53) ROCK2ROCK1MAP4K4CSNK1A1TAOK1
SCHEMBL6557959 0.92 ROCK2 (0.56) ROCK2ROCK1MAP4K4CSNK1A1TAOK1
SCHEMBL6558139 0.89 ROCK2 (0.54) ROCK2ROCK1MAP4K4CSNK1A1TAOK1
SCHEMBL6560213 0.89 ROCK2 (0.57) ROCK2ROCK1MAP4K4CSNK1A1TAOK1
SCHEMBL6558164 0.87 ROCK2 (0.49) ROCK2ROCK1MAP4K4CSNK1A1TAOK1
SCHEMBL6560258 0.85 HDAC1 (0.42) NAMPTHDAC2HDAC3HDAC1HDAC6
SCHEMBL6558015 0.84 ROCK2 (0.59) ROCK2ROCK1MAP4K4CSNK1A1TAOK1
SCHEMBL6557774 0.84 ROCK2 (0.52) ROCK2ROCK1MAP4K4CSNK1A1TAOK1
SCHEMBL6558037 0.84 ROCK2 (0.56) ROCK2ROCK1MAP4K4CSNK1A1TAOK1
SCHEMBL2471061 0.83 CIT (0.62) ROCK2ROCK1MAP4K4CSNK1A1TAOK1

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