SCHEMBL7873833

SCHEMBL7873833

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

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
EPAS1 Q99814 1/20 0.38
PYGL P06737 3/20 0.38
FBP1 P09467 1/20 0.37
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
F10 P00742 1/20 0.36
CHIT1 Q13231 1/20 0.36
MAPT P10636 3/20 0.36
ALDH1A1 P00352 2/20 0.36
TBXA2R P21731 5/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GPR17 Q13304 1/20 0.35

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
SCHEMBL7877749 0.90 MEN1 (0.38) MEN1KMT2AFBP1CYP2C9CYP2C19
SCHEMBL7884795 0.88 SIRT2 (0.37) EPAS1PYGLFBP1CYP2C9CYP2C19
SCHEMBL7879452 0.88 MEN1 (0.46) MEN1KMT2APYGLFBP1CYP2C9
SCHEMBL7882116 0.87 BRAF (0.35) FBP1CYP2C9CYP2C19
SCHEMBL7882375 0.86 FFAR1 (0.39) ALDH1A1
SCHEMBL7881807 0.85 KMT2A (0.41) MEN1KMT2AFBP1CYP2C9CYP2C19
SCHEMBL7882210 0.85 BRAF (0.33) EPAS1FBP1
SCHEMBL7873261 0.85 MAPK8 (0.32) FBP1CYP2C9CYP2C19CHIT1
SCHEMBL7884871 0.84 L3MBTL1 (0.38) FBP1MAPTALDH1A1LMNA
SCHEMBL7877608 0.84 F10 (0.38) FBP1CYP2C9CYP2C19F10

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1067988-C Indoloylguanidine derivatives SUMITOMO PHARMACEUTICS K K (JP) 2001-07-04 CN disclosed
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
CN-1136038-A Indoloylguanidine derivatives SUMITOMO PHARMACEUTICS K K (JP) 1996-11-20 CN disclosed
EP-0708091-A2 Indoloylguanidine derivatives SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1996-04-24 EP disclosed