SCHEMBL7873473

SCHEMBL7873473

CN(C(=N)N)C(=O)c1cc2c(Cl)ccc(Oc3cc([N+](=O)[O-])ccn3)c2[nH]1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.35
ALOX12 P18054 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 2/20 0.33
THRA P10827 2/20 0.33
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CCNA1 P78396 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33
MAPT P10636 6/20 0.32
FBP1 P09467 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KMT2A Q03164 4/20 0.31
MEN1 O00255 3/20 0.31
GAA P10253 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
SCHEMBL7873258 0.89 CYP1A2 (0.32) ALDH1A1FBP1
SCHEMBL7881272 0.87 NUDT1 (0.32) KDM4EGAAHPGD
SCHEMBL7884520 0.85 APEX1 (0.35) LMNAL3MBTL1KDM4ETDP1ALDH1A1
SCHEMBL7884275 0.84 ALDH1A1 (0.44) LMNATDP1ALDH1A1MAPTFBP1
SCHEMBL7873656 0.84 BRAF (0.33) LMNAALOX12L3MBTL1KDM4ETDP1
SCHEMBL7879450 0.84 MEN1 (0.42) LMNAALOX12L3MBTL1KDM4ETDP1
SCHEMBL7884606 0.84 LOXL2 (0.39)
Hydrochloric Acid SCHEMBL7873251 0.84 ALDH1A1 (0.43) LMNATDP1ALDH1A1MAPTFBP1
SCHEMBL7881811 0.83 LMNA (0.31) LMNAALOX12L3MBTL1KDM4ETDP1
SCHEMBL7880206 0.83 AURKA (0.39) ALOX12KDM4ETDP1ALDH1A1GAA

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