SCHEMBL7873656

SCHEMBL7873656

CN(C(=N)N)C(=O)c1cc2c(Cl)ccc(Oc3ccnc([N+](=O)[O-])c3)c2[nH]1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRAF P15056 3/20 0.33
LMNA P02545 3/20 0.32
MAPT P10636 2/20 0.32
FBP1 P09467 4/20 0.32
ALDH1A1 P00352 1/20 0.32
CHEK2 O96017 1/20 0.31
ALOX12 P18054 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
MEN1 O00255 1/20 0.31
CCR6 P51684 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 2/20 0.30
KDM4E B2RXH2 1/20 0.30
HTR2A P28223 1/20 0.30
SLC6A4 P31645 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
SCHEMBL7882205 0.89 BRAF (0.35) BRAFFBP1
SCHEMBL7881169 0.86 MAPK14 (0.37) BRAFKDM4EHTR2ASLC6A4
SCHEMBL7879820 0.85 APEX1 (0.35) BRAFMAPTFBP1CHEK2MEN1
SCHEMBL7884275 0.84 ALDH1A1 (0.44) LMNAMAPTFBP1ALDH1A1MEN1
SCHEMBL7878080 0.84 RHEB (0.31) MAPTALDH1A1CHEK2KDM4E
SCHEMBL7873473 0.84 LMNA (0.35) LMNAMAPTFBP1ALDH1A1ALOX12
SCHEMBL7881031 0.84 RHEB (0.34) BRAFFBP1CHEK2KDM4EHTR2A
SCHEMBL7879450 0.84 MEN1 (0.42) LMNAMAPTFBP1ALDH1A1ALOX12
Hydrochloric Acid SCHEMBL7873251 0.84 ALDH1A1 (0.43) LMNAMAPTFBP1ALDH1A1MEN1
SCHEMBL7877833 0.83 SLC6A4 (0.38) BRAFHTR2ASLC6A4

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