SCHEMBL7879692

SCHEMBL7879692

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 2/20 0.61
MAPT P10636 4/20 0.53
MAPK1 P28482 3/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
HRH4 Q9H3N8 1/20 0.53
PLCG2 P16885 2/20 0.50
THRB P10828 2/20 0.48
TDP1 Q9NUW8 2/20 0.46
PYGL P06737 1/20 0.43
PYGM P11217 1/20 0.43
XDH P47989 1/20 0.39
FBP1 P09467 5/20 0.39
GRIA1 P42261 1/20 0.38
GRIA2 P42262 1/20 0.38
GRIA3 P42263 1/20 0.38
GRIA4 P48058 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37

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 SCHEMBL7873333 0.99 APEX1 (0.60) APEX1MAPTMAPK1NPC1RAB9A
SCHEMBL7879843 0.87 APEX1 (0.46) APEX1MAPTMAPK1NPC1RAB9A
SCHEMBL7873722 0.81 GRIN2D (0.39) APEX1HRH4TDP1KDM4EMEN1
SCHEMBL7881936 0.81 HRH4 (0.50) APEX1MAPTHRH4PYGLPYGM
SCHEMBL7884356 0.81 NSD2 (0.50) HRH4KDM4EHPGDNPSR1HSD17B10
SCHEMBL7881772 0.81 HRH4 (0.53) APEX1MAPTMAPK1NPC1HRH4
SCHEMBL1653052 0.81 APEX1 (0.76) APEX1MAPTMAPK1NPC1RAB9A
Hydrochloric Acid SCHEMBL7877769 0.80 GRIN2D (0.38) APEX1HRH4TDP1KDM4EMEN1
SCHEMBL7877623 0.80 HRH4 (0.49) HRH4PYGLPYGMMEN1HPGD
Hydrochloric Acid SCHEMBL7873309 0.80 NSD2 (0.49) HRH4KDM4EHPGDNPSR1HSD17B10

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-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-0622356-B1 Indoloylguanidine derivatives as inhibitors of sodium-hydrogen exchange SUMITOMO PHARMA (JP) 1998-07-01 EP disclosed
EP-0708091-A2 Indoloylguanidine derivatives SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1996-04-24 EP disclosed
EP-0622356-A1 Indoloylguanidine derivatives as inhibitors of sodium-hydrogen exchange SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1994-11-02 EP disclosed