SCHEMBL6558249

SCHEMBL6558249

C/N=C(/NC)NCc1ccc(C(=O)Nc2ccnc3[nH]ncc23)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.40
HDAC2 Q92769 5/20 0.40
ROCK2 O75116 3/20 0.40
CIT O14578 1/20 0.40
PRKD3 O94806 1/20 0.40
MAP4K4 O95819 1/20 0.40
PRKCB P05771 1/20 0.40
PRKCA P17252 1/20 0.40
PRKACA P17612 1/20 0.40
CSNK2A2 P19784 1/20 0.40
MARK3 P27448 1/20 0.40
BMPR1A P36894 1/20 0.40
CSNK1A1 P48729 1/20 0.40
CLK1 P49759 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
CDK9 P50750 1/20 0.40
PRKCQ Q04759 1/20 0.40
PRKCD Q05655 1/20 0.40
ROCK1 Q13464 1/20 0.40

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
SCHEMBL6558259 1.00 HDAC1 (0.40) HDAC1HDAC2ROCK2CITPRKD3
SCHEMBL6559128 0.86 HDAC1 (0.39) HDAC1HDAC2ROCK2CITPRKD3
SCHEMBL6559145 0.86 HDAC1 (0.39) HDAC1HDAC2ROCK2CITPRKD3
SCHEMBL6560208 0.85 ROCK2 (0.58) HDAC1HDAC2ROCK2CITPRKD3
SCHEMBL6560199 0.85 ROCK2 (0.58) HDAC1HDAC2ROCK2CITPRKD3
SCHEMBL1553844 0.81 HDAC2 (0.47) HDAC1HDAC2ROCK2CITPRKD3
SCHEMBL6558031 0.81 HDAC2 (0.43) HDAC1HDAC2ROCK2CITPRKD3
SCHEMBL6560249 0.81 HDAC2 (0.43) HDAC1HDAC2ROCK2CITPRKD3
SCHEMBL6560225 0.80 HDAC1 (0.57) HDAC1HDAC2DHPSHDAC3HDAC6
SCHEMBL6559244 0.80 HDAC2 (0.48) HDAC1HDAC2NAMPTHDAC3HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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