SCHEMBL7878025

SCHEMBL7878025

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

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
ALDH1A1 P00352 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
LMNA P02545 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
SCHEMBL7884609 0.89 KDM4E (0.34) KDM4EGAAALDH1A1NPSR1HRH3
SCHEMBL7873970 0.87 KDM4E (0.30) KDM4E
SCHEMBL7881391 0.85 HRH3 (0.39) KDM4EGAAALDH1A1HRH3LMNA
SCHEMBL7879922 0.85 HRH3 (0.40) KDM4EGAAALDH1A1HRH3LMNA
SCHEMBL7880844 0.84 ACHE (0.33)
SCHEMBL7879508 0.84 LMNA (0.32) ALDH1A1HRH3LMNA
SCHEMBL7873980 0.84 KMT2A (0.39) KDM4EALDH1A1
SCHEMBL7879832 0.83 KDM4E (0.35) KDM4EGAAALDH1A1NPSR1HRH3
SCHEMBL7873569 0.83 KMT2A (0.40) KDM4EALDH1A1
SCHEMBL7882402 0.83 LMNA (0.30) LMNA

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