SCHEMBL7873341

SCHEMBL7873341

CN(C(=N)N)C(=O)c1cc2c(C(F)(F)F)cc(Oc3ccc(CN)cc3)cc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 5/20 0.39
RHEB Q15382 2/20 0.37
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PRSS1 P07477 2/20 0.33
PRSS2 P07478 2/20 0.33
PRSS3 P35030 2/20 0.33
F2 P00734 1/20 0.33
SCN9A Q15858 1/20 0.33
RXFP1 Q9HBX9 1/20 0.32
CHEK2 O96017 1/20 0.32
BRAF P15056 1/20 0.31
THRA P10827 2/20 0.31
THRB P10828 2/20 0.31
HTR2C P28335 1/20 0.31
AR P10275 3/20 0.30
MAOB P27338 1/20 0.30
TLR7 Q9NYK1 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
SCHEMBL7877890 0.92 F10 (0.36) RHEBMEN1KMT2AF2SCN9A
SCHEMBL7881487 0.92 RHEB (0.36) RHEBMEN1KMT2ASCN9ARXFP1
SCHEMBL7877979 0.90 MAOB (0.36) RHEBARMAOB
SCHEMBL7877441 0.89 RHEB (0.39) ST14RHEBPRSS1PRSS2PRSS3
SCHEMBL7879950 0.89 RHEB (0.35) RHEBMEN1KMT2ASCN9ARXFP1
SCHEMBL7881897 0.88 RHEB (0.40) RHEBMEN1KMT2ASCN9ARXFP1
SCHEMBL7884312 0.87 RHEB (0.32) RHEB
SCHEMBL7881038 0.87 SCN9A (0.40) RHEBSCN9AMAOB
SCHEMBL7873735 0.87 RHEB (0.36) RHEBSCN9ACHEK2BRAFAR
SCHEMBL7882167 0.86 SCN9A (0.39) RHEBSCN9A

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