SCHEMBL7873260

SCHEMBL7873260

CNC(N)=NC(=O)c1cc2c(C(F)(F)F)cc(Oc3cncc([N+](=O)[O-])c3)cc2[nH]1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 4/20 0.34
SIRT1 Q96EB6 4/20 0.34
SIRT3 Q9NTG7 3/20 0.34
RAF1 P04049 1/20 0.32
RHEB Q15382 1/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.31
ALDH1A1 P00352 2/20 0.31
ICAM1 P05362 1/20 0.30
SELE P16581 1/20 0.30
CA12 O43570 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL7884287 0.88 MEN1 (0.40) RAF1RHEBLMNAMAPT
SCHEMBL7881116 0.88 CYP2C9 (0.39) RHEBLMNAMAPTHTT
SCHEMBL7878234 0.88 SIRT2 (0.35) SIRT2SIRT1SIRT3RHEBLMNA
SCHEMBL7877591 0.87 RAF1 (0.33) RAF1RHEBICAM1SELE
SCHEMBL7884321 0.85 RAF1 (0.35) RAF1RHEBICAM1SELE
SCHEMBL7884833 0.84 SIRT2 (0.41) SIRT2SIRT1SIRT3LMNAMAPT
SCHEMBL7884795 0.84 SIRT2 (0.37) SIRT2SIRT1SIRT3RAF1ICAM1
SCHEMBL7879751 0.84 RHEB (0.32) RAF1RHEB
SCHEMBL7880742 0.83 SMN1; SMN2 (0.40) RHEB
SCHEMBL7873405 0.83 RAF1 (0.38) RAF1RHEBCA9

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