SCHEMBL7877437

SCHEMBL7877437

CNC(N)=NC(=O)c1cc2c(Cl)ccc(Oc3cccc(CN)c3)c2[nH]1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
F10 P00742 1/20 0.35
HTR2A P28223 1/20 0.34
SLC6A4 P31645 1/20 0.34
KCNH2 Q12809 1/20 0.34
BRAF P15056 4/20 0.33
CTSC P53634 1/20 0.33
RHEB Q15382 1/20 0.33
PTGDR2 Q9Y5Y4 5/20 0.33
FBP1 P09467 1/20 0.33
ESRRA P11474 1/20 0.32
LOXL2 Q9Y4K0 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.32

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
SCHEMBL7880168 0.92 ESRRA (0.36) HTR2ASLC6A4KCNH2BRAFRHEB
Hydrochloric Acid SCHEMBL7873471 0.91 ESRRA (0.35) HTR2ASLC6A4KCNH2BRAFRHEB
SCHEMBL7873733 0.90 SLC6A4 (0.39) PPARGPPARDPPARAF10HTR2A
SCHEMBL7877615 0.89 PPARG (0.34) PPARGPPARDPPARAHTR2ASLC6A4
SCHEMBL7884847 0.88 RHEB (0.35) HTR2ASLC6A4KCNH2BRAFRHEB
SCHEMBL7881844 0.87 RHEB (0.44) RHEBFBP1ESRRA
SCHEMBL7881933 0.87 PRMT5 (0.34) PPARGHTR2ASLC6A4KCNH2BRAF
SCHEMBL7877608 0.87 F10 (0.38) PPARGPPARDPPARAF10BRAF
SCHEMBL7884755 0.87 KDM4E (0.40) KCNH2
SCHEMBL7873391 0.87 MRGPRX4 (0.43) MRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6248772-B1 HYPOTENSIVE AGENTS; ANTIARRHYTHMIA AGENTS; ANTIDIABETIC AGENTS; ANTIPROLIFERATIVE AGENTS SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 2001-06-19 US disclosed
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