SCHEMBL1493318

SCHEMBL1493318

CCN(c1ccc(F)c(C(=O)O)c1F)S(=O)(=O)NS(C)(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.38
FABP4 P15090 1/20 0.35
BRAF P15056 3/20 0.33
ADRA2C P18825 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
MEN1 O00255 3/20 0.32
MAPT P10636 3/20 0.32
KMT2A Q03164 3/20 0.32
HTT P42858 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
METAP2 P50579 3/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
ALDH1A1 P00352 2/20 0.31
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31
NCOA3 Q9Y6Q9 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
SCHEMBL1490950 0.87 LMNA (0.39) LMNAFABP4BRAFMEN1MAPT
SCHEMBL1490997 0.74 PSEN1 (0.35) LMNABRAFMEN1KMT2ASMN1; SMN2
SCHEMBL1592968 0.74 ESR1 (0.38) LMNAFABP4SMN1; SMN2
SCHEMBL1490948 0.72 BRAF (0.55) FABP4BRAFMETAP2
SCHEMBL1493315 0.72 FABP4 (0.47) FABP4BRAFMETAP2
SCHEMBL27838929 0.71 MCL1 (0.38) FABP4ALDH1A1
SCHEMBL8001344 0.70 BRAF (0.34) LMNAFABP4BRAFMETAP2
SCHEMBL3529771 0.70 FABP4 (0.53) FABP4BRAFMAPTKMT2AMETAP2
SCHEMBL1437491 0.69 AKR1B1 (0.34) LMNAFABP4BRAF
SCHEMBL27838901 0.69 NR1I2 (0.38) MAPTKEAP1NFE2L2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2470539-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2012-07-04 EP disclosed
WO-2011025951-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2011-03-03 WO disclosed