SCHEMBL7873660

SCHEMBL7873660

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

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
BRAF P15056 8/20 0.33
GCK P35557 1/20 0.33
GAA P10253 2/20 0.32
PKM P14618 1/20 0.32
MAPT P10636 3/20 0.32
LMNA P02545 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
RAF1 P04049 1/20 0.31
KDR P35968 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TBXA2R P21731 1/20 0.31
TP53 P04637 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CHEK2 O96017 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
SCHEMBL7882210 0.88 BRAF (0.33) FBP1BRAFRAF1KDR
SCHEMBL7881176 0.87 MAPK14 (0.38) BRAFGCKKDR
SCHEMBL7879824 0.85 APEX1 (0.35) FBP1MEN1KMT2ABRAFGCK
SCHEMBL7884278 0.85 MEN1 (0.45) FBP1MEN1KMT2AGAAPKM
SCHEMBL7873476 0.84 LMNA (0.35) FBP1MEN1KMT2AGAAPKM
SCHEMBL7881036 0.84 ESRRA (0.35) BRAFGCKPKMRAF1KDR
SCHEMBL7879452 0.84 MEN1 (0.46) FBP1MEN1KMT2AGAAPKM
Hydrochloric Acid SCHEMBL7873254 0.84 MEN1 (0.45) FBP1MEN1KMT2AGAAPKM
SCHEMBL7878083 0.83 RAF1 (0.34) MEN1KMT2ABRAFRAF1KDR
SCHEMBL7881234 0.83 SIRT2 (0.38) FBP1MEN1KMT2AGAAPKM

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