SCHEMBL7880924

SCHEMBL7880924

CNC(N)=NC(=O)c1cc2c(C(F)(F)F)ccc(Oc3ccc(N)cc3)c2[nH]1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.36
RHEB Q15382 1/20 0.35
BRAF P15056 8/20 0.33
ICAM1 P05362 2/20 0.33
SELE P16581 2/20 0.33
HDAC3 O15379 1/20 0.33
RAF1 P04049 1/20 0.33
ARAF P10398 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33

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
Hydrochloric Acid SCHEMBL7881497 0.99 FFAR1 (0.36) FFAR1RHEBBRAFICAM1SELE
SCHEMBL7882375 0.91 FFAR1 (0.39) FFAR1RHEBRAF1BRD4KDM4E
SCHEMBL7882116 0.89 BRAF (0.35) FFAR1RHEBBRAFRAF1BRD4
SCHEMBL7880732 0.89 FFAR1 (0.35) FFAR1RHEBBRAFICAM1SELE
SCHEMBL7882129 0.89 ICAM1 (0.37) FFAR1RHEBBRAFICAM1SELE
SCHEMBL7877749 0.88 MEN1 (0.38) MAPTFBP1
SCHEMBL7881882 0.88 ICAM1 (0.35) FFAR1RHEBBRAFICAM1SELE
SCHEMBL7878058 0.87 SLC6A4 (0.41) FFAR1RHEBBRAFSLC6A2SLC6A4
SCHEMBL7877775 0.86 MET (0.37) BRAFRAF1
Hydrochloric Acid SCHEMBL7881285 0.86 BRD4 (0.35) RHEBBRAFICAM1SELEHDAC3

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