SCHEMBL7877602

SCHEMBL7877602

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

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.40
SUCNR1 Q9BXA5 1/20 0.36
LOXL2 Q9Y4K0 4/20 0.33
LOX P28300 2/20 0.33
FBP1 P09467 1/20 0.33
BRAF P15056 4/20 0.33
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
PLAU P00749 3/20 0.32
PLG P00747 1/20 0.32
PLAT P00750 1/20 0.32
RHEB Q15382 1/20 0.32
FFAR1 O14842 1/20 0.32

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
SCHEMBL7877628 0.92 F10 (0.39) F10SUCNR1FBP1BRAF
SCHEMBL7880729 0.92 FFAR1 (0.35) FBP1BRAFRHEBFFAR1
SCHEMBL7880193 0.90 SCN9A (0.36) F10SUCNR1BRAF
SCHEMBL7882112 0.88 BRAF (0.34) F10SUCNR1FBP1BRAFRHEB
SCHEMBL7877435 0.88 F10 (0.40) F10FBP1PPARGPPARDPPARA
SCHEMBL7882372 0.88 FFAR1 (0.39) FBP1BRAFRHEBFFAR1
SCHEMBL7884304 0.88 SUCNR1 (0.32) SUCNR1BRAF
SCHEMBL7880758 0.88 SCN9A (0.38)
SCHEMBL7884835 0.88 MRGPRX4 (0.37) PLAUPLG
SCHEMBL7873699 0.87 SCN9A (0.38)

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