SCHEMBL7879405

SCHEMBL7879405

CN(C(=N)N)C(=O)c1cc2c(Cl)cc(Oc3ccc(CN)cc3)cc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 5/20 0.41
RHEB Q15382 3/20 0.39
FLT3 P36888 1/20 0.36
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
PRSS1 P07477 2/20 0.34
PRSS2 P07478 2/20 0.34
PRSS3 P35030 2/20 0.34
F2 P00734 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
HTR2A P28223 1/20 0.33
SLC6A4 P31645 1/20 0.33
GRIN1 Q05586 1/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
EIF4A3 P38919 1/20 0.32
CHEK2 O96017 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
Hydrochloric Acid SCHEMBL7881143 0.99 ST14 (0.40) ST14RHEBFLT3PPARGPPARD
SCHEMBL7880851 0.91 PPARG (0.40) ST14RHEBFLT3PPARGPPARD
SCHEMBL7877541 0.91 HTR2A (0.39) RHEBFLT3PPARGPPARDPPARA
Hydrochloric Acid SCHEMBL7881325 0.90 HTR2A (0.38) RHEBFLT3PPARGPPARDPPARA
SCHEMBL7881416 0.89 MAOB (0.36) RHEBFLT3F2SCN9A
SCHEMBL7884372 0.89 RHEB (0.39) ST14RHEBFLT3PRSS1PRSS2
SCHEMBL7884253 0.89 RHEB (0.37) RHEBFLT3PPARGPPARDPPARA
Hydrochloric Acid SCHEMBL7879399 0.88 MAOB (0.37) RHEBFLT3F2SCN9A
Hydrochloric Acid SCHEMBL7884300 0.88 RHEB (0.38) ST14RHEBFLT3PRSS1PRSS2
SCHEMBL7879889 0.88 RHEB (0.50) RHEBFLT3PPARGPPARDPPARA

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
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 claimed
EP-0708091-A2 Indoloylguanidine derivatives SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1996-04-24 EP claimed
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