SCHEMBL1898147

SCHEMBL1898147

Cn1nc(C(C)(C)C)cc1C(=O)Nc1cccc(C(=O)Nc2ccccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
BRAF P15056 2/20 0.55
KDR P35968 1/20 0.54
MAPK14 Q16539 1/20 0.54
KCNK9 Q9NPC2 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
KDM4E B2RXH2 1/20 0.51
GRN P28799 1/20 0.51
SORT1 Q99523 1/20 0.51
KMT2A Q03164 2/20 0.51
POLB P06746 1/20 0.51
MEN1 O00255 1/20 0.50
KCNK3 O14649 1/20 0.48

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
SCHEMBL1903600 0.91 KDM4E (0.60) LMNABRAFMAPK14NPSR1KDM4E
SCHEMBL5906560 0.87 BRAF (0.54) LMNABRAFKDRMAPK14KCNK9
SCHEMBL1905801 0.83 NPSR1 (0.77) LMNANPSR1KDM4EGRNSORT1
SCHEMBL1900620 0.80 MAPK14 (0.59) LMNABRAFMAPK14NPSR1KDM4E
SCHEMBL1903709 0.79 MAPT (0.68) LMNABRAFMAPK14NPSR1KDM4E
SCHEMBL5906578 0.77 NPSR1 (0.55) NPSR1GRNSORT1KMT2AMEN1
SCHEMBL4425426 0.77 NPSR1 (0.59) MAPK14NPSR1KDM4EGRNSORT1
SCHEMBL1897017 0.77 BRAF (0.58) BRAFMAPK14NPSR1KDM4EGRN
SCHEMBL6059993 0.77 POLB (0.58) LMNAMAPK14NPSR1KDM4EGRN
SCHEMBL14107960 0.77 MAPK14 (0.54) LMNABRAFKDRMAPK14NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1252156-B1 BLOCKADE OF VOLTAGE DEPENDENT SODIUM CHANNELS UCL BUSINESS PLC (GB) 2011-05-04 EP disclosed