SCHEMBL7873832

SCHEMBL7873832

CN(C(=N)N)C(=O)c1cc2c(C(F)(F)F)ccc(Oc3cccc([N+](=O)[O-])c3)c2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.38
EPAS1 Q99814 1/20 0.38
PYGL P06737 1/20 0.36
FBP1 P09467 3/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 2/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
TBXA2R P21731 3/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GPR17 Q13304 1/20 0.33

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
SCHEMBL7877744 0.90 HSPB1 (0.36) FBP1MEN1KMT2AMAPTTBXA2R
SCHEMBL7879450 0.89 MEN1 (0.42) F10FBP1MEN1KMT2AMAPT
SCHEMBL7884790 0.88 SIRT2 (0.36) EPAS1FBP1ALDH1A1LMNA
SCHEMBL7882112 0.87 BRAF (0.34) F10FBP1MAPT
SCHEMBL7882372 0.86 FFAR1 (0.39) FBP1
SCHEMBL7882205 0.85 BRAF (0.35) EPAS1FBP1
SCHEMBL7873258 0.85 CYP1A2 (0.32) FBP1ALDH1A1
SCHEMBL7881113 0.84 F10 (0.38) F10EPAS1MEN1KMT2AMAPT
SCHEMBL7884868 0.84 L3MBTL1 (0.38) FBP1MAPTALDH1A1LMNA
SCHEMBL7877602 0.84 F10 (0.40) F10FBP1

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