SCHEMBL7873718

SCHEMBL7873718

CN(C(=N)N)C(=O)c1cc2cccc(OCc3ccc(CN)cc3)c2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 2/20 0.38
PLG P00747 1/20 0.38
PLAU P00749 1/20 0.38
F11 P03951 1/20 0.38
KLKB1 P03952 1/20 0.38
F7 P08709 1/20 0.38
TPSB2 P20231 1/20 0.38
MAPT P10636 4/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
FLT3 P36888 1/20 0.38
IDO1 P14902 1/20 0.37
F2 P00734 1/20 0.36
TP53 P04637 2/20 0.36
SRD5A2 P31213 2/20 0.35
HRH4 Q9H3N8 1/20 0.35
SRD5A1 P18405 1/20 0.35
KDM4E B2RXH2 1/20 0.34
RXRA P19793 1/20 0.34
KLK1 P06870 1/20 0.34

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
SCHEMBL7877636 0.94 CFD (0.43) CFDPLGPLAUF11KLKB1
SCHEMBL7873765 0.92 MAPT (0.37) MAPTALDH1A1GAAFLT3IDO1
Hydrochloric Acid SCHEMBL7877859 0.92 SRD5A2 (0.42) CFDPLGPLAUF11KLKB1
SCHEMBL7873850 0.89 MAPT (0.39) MAPTALDH1A1GAAFLT3IDO1
SCHEMBL7884782 0.88 MEN1 (0.40) CFDPLGPLAUF11KLKB1
SCHEMBL7873962 0.88 ST14 (0.38) PLAUMAPTFLT3IDO1TP53
SCHEMBL7880985 0.87 MGMT (0.42) CFDPLGPLAUF11KLKB1
SCHEMBL7873278 0.86 MEN1 (0.39) MAPTALDH1A1GAAFLT3IDO1
SCHEMBL7880892 0.86 FLT3 (0.35) CFDPLGPLAUF11KLKB1
Hydrochloric Acid SCHEMBL7873939 0.85 TP53 (0.38) PLAUMAPTALDH1A1FLT3IDO1

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