SCHEMBL7884609

SCHEMBL7884609

CNC(N)=NC(=O)c1cc2c(C(F)(F)F)ccc(Oc3ccc(CN4CCCC4)o3)c2[nH]1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
SCN9A Q15858 3/20 0.32
MAP3K7 O43318 2/20 0.32
MAP4K2 Q12851 2/20 0.32
FES P07332 1/20 0.31
FER P16591 1/20 0.31
MAPK14 Q16539 1/20 0.31
ALDH1A1 P00352 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL7878025 0.89 KDM4E (0.35) KDM4EGAAHRH3ALDH1A1NPSR1
SCHEMBL7873249 0.87
SCHEMBL7882235 0.85 SCN9A (0.38) KDM4EHRH3SCN9AALDH1A1
SCHEMBL7880848 0.85 SLC6A2 (0.33)
SCHEMBL7881066 0.85 HRH3 (0.35) HRH3SCN9AMAP3K7MAP4K2
SCHEMBL7877852 0.85 MEN1 (0.38) KDM4EGAAHRH3SCN9AALDH1A1
SCHEMBL7879865 0.85 HRH3 (0.38) KDM4EHRH3SCN9AALDH1A1
SCHEMBL7884605 0.84 SCN9A (0.32) KDM4EGAAHRH3SCN9AMAP3K7
SCHEMBL7877831 0.84 KDM4E (0.34) KDM4EGAAHRH3SCN9AALDH1A1
SCHEMBL7873852 0.84 MEN1 (0.39) KDM4EGAAHRH3SCN9AALDH1A1

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