SCHEMBL7879746

SCHEMBL7879746

CN(C(=N)N)C(=O)c1cc2c(C(F)(F)F)cc(Oc3cc([N+](=O)[O-])ccn3)cc2[nH]1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 1/20 0.32
RAB9A P51151 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL7873651 0.88 RHEB (0.34) RHEB
SCHEMBL7881811 0.87 LMNA (0.31) RAB9AALDH1A1
SCHEMBL7884282 0.86 MEN1 (0.39) RHEBRAB9AALDH1A1
SCHEMBL7873402 0.86 RHEB (0.34) RHEB
SCHEMBL7881113 0.86 F10 (0.38) RHEB
SCHEMBL7884557 0.85 LOXL2 (0.40)
SCHEMBL7882153 0.85 DRD1 (0.35) RHEB
SCHEMBL7881230 0.84 RHEB (0.32) RHEB
SCHEMBL7873258 0.84 CYP1A2 (0.32) ALDH1A1
SCHEMBL7873257 0.84 ALDH1A1 (0.34) RHEBALDH1A1

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