SCHEMBL7873348

SCHEMBL7873348

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 1/20 0.38
ST14 Q9Y5Y6 5/20 0.36
RAF1 P04049 3/20 0.33
PRSS1 P07477 2/20 0.33
PRSS2 P07478 2/20 0.33
PRSS3 P35030 2/20 0.33
HTR2C P28335 1/20 0.33
BRAF P15056 2/20 0.32
HDAC3 O15379 1/20 0.32
ARAF P10398 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 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
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 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
SCHEMBL7877894 0.92 RHEB (0.36) RHEBRAF1HTR2CBRAFLOX
SCHEMBL7881493 0.90 SLC6A2 (0.36) RHEBRAF1BRAFHDAC3ARAF
SCHEMBL7877982 0.90 MAOB (0.37) RHEBIDO1TDO2AR
SCHEMBL7877449 0.89 RHEB (0.39) RHEBRAF1BRAFHDAC3ARAF
SCHEMBL7879952 0.88 RHEB (0.35) RHEBRAF1BRAFHDAC3ARAF
SCHEMBL7881901 0.88 RHEB (0.41) RHEBRAF1BRAFCHEK2IDO1
SCHEMBL7884321 0.87 RAF1 (0.35) RHEBRAF1BRAFIDO1LOX
SCHEMBL7881044 0.87 SCN9A (0.38) RHEBSCN9A
SCHEMBL7873739 0.86 RHEB (0.37) RHEBRAF1HTR2CBRAFARAF
SCHEMBL7879412 0.86 RHEB (0.39) RHEBST14PRSS1PRSS2PRSS3

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