SCHEMBL7877872

SCHEMBL7877872

CCN(CC)Cc1cccc(Oc2cc(C(F)(F)F)c3cc(C(=O)N(C)C(=N)N)[nH]c3c2)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
RHEB Q15382 1/20 0.34
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NR1H3 Q13133 3/20 0.33
NR1H2 P55055 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
CETP P11597 1/20 0.33
HSD17B2 P37059 1/20 0.33
F10 P00742 3/20 0.32
F2 P00734 1/20 0.32
SQLE Q14534 1/20 0.32
BCHE P06276 1/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 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
SCHEMBL7882181 0.92 F10 (0.39) MEN1KMT2ARHEBRXFP1ROCK2
SCHEMBL7879950 0.91 RHEB (0.35) MEN1KMT2ARHEBRXFP1SCN9A
SCHEMBL7877890 0.90 F10 (0.36) MEN1KMT2ARHEBNR1H3NR1H2
SCHEMBL7877569 0.89 GYS1 (0.37) MEN1KMT2ARXFP1F2BCHE
SCHEMBL7878038 0.88 RHEB (0.32) RHEB
SCHEMBL7881958 0.87 PPARG (0.38) MEN1KMT2ARHEBTSHRHSD17B10
SCHEMBL7879968 0.86 RHEB (0.31) RHEB
SCHEMBL7882095 0.85 RHEB (0.37) RHEBNR1H3NR1H2F10F2
SCHEMBL7880193 0.85 SCN9A (0.36) MEN1KMT2ATSHRHSD17B10NR1H3
SCHEMBL7878261 0.85 SCN9A (0.37) MEN1KMT2ARHEBSCN9A

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