SCHEMBL7877951

SCHEMBL7877951

CNC(N)=NC(=O)c1cc2ccc(Oc3cc([N+](=O)[O-])ccn3)cc2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.37
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
LGALS8 O00214 1/20 0.33
LGALS3 P17931 1/20 0.33
PYGL P06737 2/20 0.33
PYGM P11217 2/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
PDGFRB P09619 2/20 0.33
PDGFRA P16234 2/20 0.33
ERBB2 P04626 1/20 0.33
PTK6 Q13882 1/20 0.33
CHEK2 O96017 1/20 0.33
FLT3 P36888 1/20 0.32
CA2 P00918 1/20 0.32
ALOX15 P16050 1/20 0.32
DRD3 P35462 1/20 0.32
NPC1 O15118 1/20 0.32

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
SCHEMBL7884822 0.87 FLT3 (0.35) HRH4MEN1KMT2APDGFRBPDGFRA
SCHEMBL7881815 0.86 LGALS8 (0.33) MEN1MAPTKMT2ALGALS8LGALS3
SCHEMBL7881047 0.86 LGALS8 (0.42) HRH4MEN1ALDH1A1MAPTKMT2A
SCHEMBL7873786 0.85 RAF1 (0.37) HRH4ALDH1A1LGALS8LGALS3PDGFRB
SCHEMBL7881894 0.85 CYP2C9 (0.44) HRH4MEN1ALDH1A1MAPTKMT2A
SCHEMBL7879751 0.84 RHEB (0.32) MEN1KMT2AERBB2PTK6RAB9A
SCHEMBL7881902 0.84 LOXL2 (0.46)
SCHEMBL7873271 0.83 BTK (0.44) MEN1KMT2ALGALS8PDGFRBPDGFRA
SCHEMBL7884833 0.83 SIRT2 (0.41) HRH4MEN1ALDH1A1MAPTKMT2A
SCHEMBL7884283 0.82 HRH4 (0.51) HRH4MEN1ALDH1A1MAPTKMT2A

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