SCHEMBL7873786

SCHEMBL7873786

CNC(N)=NC(=O)c1cc2ccc(Oc3ccnc([N+](=O)[O-])c3)cc2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 11/20 0.37
BRAF P15056 11/20 0.37
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
KDR P35968 1/20 0.34
CHEK2 O96017 1/20 0.33
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33
FLT3 P36888 1/20 0.33
CA2 P00918 1/20 0.33
ALOX15 P16050 1/20 0.33
LGALS8 O00214 1/20 0.33
LGALS3 P17931 1/20 0.33
XDH P47989 1/20 0.32
HRH4 Q9H3N8 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
SCHEMBL7878083 0.86 RAF1 (0.34) RAF1BRAFKDRCHEK2PDGFRB
SCHEMBL7881047 0.85 LGALS8 (0.42) ALDH1A1CHEK2PDGFRBPDGFRALGALS8
SCHEMBL7879701 0.85 ROCK2 (0.41) RAF1BRAFKDRPDGFRBPDGFRA
SCHEMBL7877951 0.85 HRH4 (0.37) ALDH1A1CHEK2PDGFRBPDGFRAFLT3
SCHEMBL7873405 0.85 RAF1 (0.38) RAF1BRAFKDRCHEK2PDGFRB
SCHEMBL7885071 0.84 XDH (0.39) RAF1BRAFALDH1A1HPGDKDR
SCHEMBL7881894 0.83 CYP2C9 (0.44) ALDH1A1PDGFRBPDGFRAFLT3LGALS8
SCHEMBL7879824 0.83 APEX1 (0.35) RAF1BRAFKDRXDH
SCHEMBL7884833 0.83 SIRT2 (0.41) ALDH1A1CHEK2PDGFRBPDGFRAFLT3
SCHEMBL7884822 0.81 FLT3 (0.35) RAF1BRAFKDRPDGFRBPDGFRA

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