SCHEMBL7878080

SCHEMBL7878080

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

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 2/20 0.31
LGALS8 O00214 1/20 0.31
LGALS3 P17931 1/20 0.31
CHEK2 O96017 2/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 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
SCHEMBL7873402 0.87 RHEB (0.34) RHEBCHEK2
SCHEMBL7877937 0.86 MAPK14 (0.37) RHEBLGALS8CHEK2
SCHEMBL7873782 0.85 MEN1 (0.38) CHEK2KDM4EALDH1A1
SCHEMBL7881811 0.85 LMNA (0.31) LGALS8LGALS3CHEK2KDM4EALDH1A1
SCHEMBL7879699 0.84 MEN1 (0.41) RHEBLGALS8LGALS3CHEK2KDM4E
SCHEMBL7873656 0.84 BRAF (0.33) CHEK2KDM4EALDH1A1MAPT
SCHEMBL7873184 0.84 RHEB (0.38) RHEBCHEK2
SCHEMBL7884778 0.84 F10 (0.38) RHEBLGALS8LGALS3ALDH1A1MAPT
SCHEMBL7873369 0.83 RHEB (0.34) RHEBKDM4E
SCHEMBL7878230 0.82 SIRT2 (0.34) RHEBLGALS8LGALS3CHEK2ALDH1A1

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