SCHEMBL44680

SCHEMBL44680

CC(C)(C)NC(=O)OC(c1cccc(C(F)(F)F)c1)c1ccnc(-c2cc(N3CCCCC3)ccc2N)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 3/20 0.39
BRAF P15056 3/20 0.39
KCNQ2 O43526 1/20 0.37
KLRK1 P26718 2/20 0.35
MICA Q29983 2/20 0.35
RAET1L Q5VY80 2/20 0.35
PHGDH O43175 3/20 0.35
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
HDAC1 Q13547 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TEK Q02763 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
SCHEMBL15444400 0.83 RAF1 (0.38) RAF1BRAFKCNQ2PHGDHMAPK13
SCHEMBL18482258 0.76 KDM4E (0.41) RAF1BRAFKCNQ2PHGDH
SCHEMBL40470 0.75 BRAF (0.59) RAF1BRAFMEN1KMT2A
SCHEMBL44681 0.73 KCNQ2 (0.37) RAF1BRAFKCNQ2MEN1KMT2A
SCHEMBL46765 0.72 KCNQ2 (0.38) RAF1BRAFKCNQ2PHGDHMEN1
SCHEMBL15444401 0.72 MAPT (0.42) MEN1KMT2AL3MBTL1
SCHEMBL46775 0.72 MAPK13 (0.42) MAPK13MAPK12MAPK11MAPK14
SCHEMBL19595872 0.72 ALKBH5 (0.42) RAF1BRAFKCNQ2
SCHEMBL39728 0.72 BRAF (0.46) RAF1BRAFMEN1KMT2AHDAC1
SCHEMBL39746 0.71 KDM4E (0.47) RAF1BRAFMEN1KMT2AHDAC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2591354-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT Ardelyx, Inc. (US) 2013-05-15 EP disclosed
EP-2590656-A2 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT Ardelyx, Inc. (US) 2013-05-15 EP disclosed
WO-2012054110-A2 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-04-26 WO disclosed
WO-2012006475-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-01-12 WO disclosed