SCHEMBL7877937

SCHEMBL7877937

CN(C(=N)N)C(=O)c1cc2c(Cl)cc(Oc3ccnc(N)c3)cc2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.37
RHEB Q15382 3/20 0.34
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
NUDT1 P36639 1/20 0.32
GRIN1 Q05586 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
EIF4A3 P38919 1/20 0.31
FLT3 P36888 1/20 0.31
CHEK2 O96017 2/20 0.31
CDK2 P24941 1/20 0.30
LGALS8 O00214 1/20 0.30
RAF1 P04049 1/20 0.30

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
SCHEMBL7873184 0.88 RHEB (0.38) RHEBGRIN1EIF4A3FLT3CHEK2
SCHEMBL7873369 0.87 RHEB (0.34) RHEBNUDT1HRH4
SCHEMBL7877713 0.86 RHEB (0.32) RHEBNUDT1GRIN1HRH4EIF4A3
SCHEMBL7878080 0.86 RHEB (0.31) RHEBCHEK2LGALS8
SCHEMBL7881132 0.86 RHEB (0.36) MAPK14RHEBNOS3NOS1NOS2
SCHEMBL7884372 0.85 RHEB (0.39) RHEBTHRATHRBGRIN1EIF4A3
SCHEMBL7882126 0.85 RHEB (0.32) RHEB
SCHEMBL7882347 0.84 RHEB (0.39) RHEBGRIN1HRH4EIF4A3FLT3
SCHEMBL7879697 0.84 MEN1 (0.41) MAPK14NOS3NOS1NOS2HRH4
Hydrochloric Acid SCHEMBL7884300 0.84 RHEB (0.38) RHEBTHRATHRBGRIN1EIF4A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6169107-B1 USEFUL FOR THE TREATMENT AND PREVENTION OF DISEASES CAUSED BY INCREASED SODIUM/PROTON (NA.SUP.+ /H.SUP.+) EXCHANGER ACTIVITY, FOR EXAMPLE, HYPERTENSION, ARRHYTHMIA, ANGINA PECTORIS, CARDIAC HYPERTROPHY, DIABETES MELLITUS SUMITOMO PHARMACEUTICAL CO., LTD. (JP) 2001-01-02 US disclosed
EP-0708091-A2 Indoloylguanidine derivatives SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1996-04-24 EP disclosed