SCHEMBL7879820

SCHEMBL7879820

CN(C(=N)N)C(=O)c1cc2cccc(Oc3ccnc([N+](=O)[O-])c3)c2[nH]1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.35
MAPT P10636 4/20 0.34
TP53 P04637 2/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
IDO1 P14902 1/20 0.33
NPC1 O15118 2/20 0.32
MAPK1 P28482 2/20 0.32
RAB9A P51151 2/20 0.32
F10 P00742 2/20 0.32
HRH4 Q9H3N8 2/20 0.32
THRB P10828 1/20 0.32
XDH P47989 1/20 0.32
FBP1 P09467 1/20 0.32
FLT3 P36888 1/20 0.32
SYK P43405 1/20 0.31
CHEK2 O96017 1/20 0.31
BRAF P15056 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
SCHEMBL7879823 0.86 MET (0.36) MAPTTP53IDO1F10HRH4
SCHEMBL7881805 0.85 F10 (0.41) APEX1MAPTMEN1KMT2AF10
SCHEMBL7873656 0.85 BRAF (0.33) MAPTKDM4EMEN1KMT2ATDP1
SCHEMBL7885055 0.84 APEX1 (0.38) APEX1MAPTKDM4EMEN1KMT2A
SCHEMBL7884520 0.84 APEX1 (0.35) APEX1MAPTTP53KDM4EMEN1
SCHEMBL7881241 0.84 IDO1 (0.40) MAPTTP53KDM4EIDO1F10
SCHEMBL7879698 0.83 TP53 (0.36) MAPTTP53KDM4EIDO1F10
SCHEMBL7882205 0.83 BRAF (0.35) FBP1BRAF
SCHEMBL7873782 0.83 MEN1 (0.38) KDM4EMEN1KMT2AHRH4FLT3
SCHEMBL7882084 0.82 SIRT2 (0.39) APEX1MAPTIDO1NPC1MAPK1

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