SCHEMBL7877441

SCHEMBL7877441

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 2/20 0.39
AR P10275 6/20 0.36
BRAF P15056 2/20 0.34
CHEK2 O96017 3/20 0.33
PARP10 Q53GL7 1/20 0.33
SCN9A Q15858 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ST14 Q9Y5Y6 3/20 0.31
F2 P00734 2/20 0.31
PRSS1 P07477 2/20 0.31
PRSS2 P07478 2/20 0.31
PRSS3 P35030 2/20 0.31
KDR P35968 1/20 0.30
TEK Q02763 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 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
SCHEMBL7881897 0.91 RHEB (0.40) RHEBSCN9A
SCHEMBL7882095 0.89 RHEB (0.37) RHEBARBRAFCHEK2SCN9A
SCHEMBL7873341 0.89 ST14 (0.39) RHEBARBRAFCHEK2SCN9A
SCHEMBL7873735 0.89 RHEB (0.36) RHEBARBRAFCHEK2SCN9A
SCHEMBL7881487 0.89 RHEB (0.36) RHEBCHEK2SCN9AALDH1A1
SCHEMBL7884282 0.88 MEN1 (0.39) RHEBCHEK2ALDH1A1
SCHEMBL7877587 0.87 RHEB (0.33) RHEBAR
SCHEMBL7879950 0.86 RHEB (0.35) RHEBARBRAFCHEK2SCN9A
SCHEMBL7881132 0.86 RHEB (0.36) RHEBBRAFCHEK2SCN9AKDR
SCHEMBL7873651 0.86 RHEB (0.34) RHEBARKDR

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