SCHEMBL7879952

SCHEMBL7879952

CCN(CC)Cc1ccc(Oc2cc(C(F)(F)F)c3cc(C(=O)N=C(N)NC)[nH]c3c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 1/20 0.35
HRH3 Q9Y5N1 2/20 0.33
SCN9A Q15858 1/20 0.32
HDAC8 Q9BY41 2/20 0.32
HDAC6 Q9UBN7 2/20 0.32
BRAF P15056 2/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC3 O15379 1/20 0.32
RAF1 P04049 1/20 0.32
ARAF P10398 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
AR P10275 5/20 0.31
ACHE P22303 1/20 0.31
THRA P10827 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
SCHEMBL7881493 0.91 SLC6A2 (0.36) RHEBHDAC8HDAC6BRAFHDAC1
SCHEMBL7877875 0.91 RHEB (0.34) RHEBBRAFRAF1ARACHE
SCHEMBL7882185 0.90 HRH3 (0.41) RHEBHRH3ARACHE
SCHEMBL7878042 0.90 RAF1 (0.33) RHEBRAF1
SCHEMBL7873348 0.88 RHEB (0.38) RHEBSCN9AHDAC8HDAC6BRAF
SCHEMBL7884259 0.88 RHEB (0.36) RHEBHRH3HDAC8HDAC6ACHE
SCHEMBL7879972 0.87 LOXL2 (0.31) RHEBBRAFRAF1
SCHEMBL7878265 0.85 SCN9A (0.37) RHEBSCN9AARACHE
SCHEMBL7879509 0.85 RHEB (0.32) RHEBAR
SCHEMBL7877449 0.85 RHEB (0.39) RHEBHDAC8HDAC6BRAFHDAC1

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