SCHEMBL1900620

SCHEMBL1900620

Cn1nc(C(C)(C)C)cc1C(=O)Nc1ccc(C(C)(C)C)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.59
KDM4E B2RXH2 1/20 0.55
GRN P28799 1/20 0.55
SORT1 Q99523 1/20 0.55
MAPT P10636 3/20 0.53
NPSR1 Q6W5P4 2/20 0.53
MAPK1 P28482 1/20 0.53
CNR1 P21554 1/20 0.53
CNR2 P34972 1/20 0.53
ALDH1A1 P00352 1/20 0.53
CYP3A4 P08684 1/20 0.53
HSD17B10 Q99714 1/20 0.53
POLB P06746 1/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
MAPK13 O15264 1/20 0.52
MAPK12 P53778 1/20 0.52
MAPK11 Q15759 1/20 0.52
AAK1 Q2M2I8 1/20 0.52

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
SCHEMBL6059993 0.91 POLB (0.58) MAPK14KDM4EGRNSORT1MAPT
SCHEMBL1903709 0.88 MAPT (0.68) MAPK14KDM4EGRNSORT1MAPT
SCHEMBL1903600 0.87 KDM4E (0.60) MAPK14KDM4EGRNSORT1MAPT
SCHEMBL4425426 0.85 NPSR1 (0.59) MAPK14KDM4EGRNSORT1MAPT
SCHEMBL1897017 0.83 BRAF (0.58) MAPK14KDM4EGRNSORT1MAPT
SCHEMBL4257557 0.81 AAK1 (0.55) MAPK14KDM4EGRNSORT1MAPT
SCHEMBL1898147 0.80 LMNA (0.55) MAPK14KDM4EGRNSORT1NPSR1
SCHEMBL4257553 0.79 INSR (0.49) KDM4EGRNSORT1MAPTNPSR1
SCHEMBL13234678 0.79 FLT3 (0.62) MAPK14MEN1KMT2AMAPK13MAPK12
SCHEMBL17936110 0.78 BRAF (0.47) KDM4EGRNSORT1MAPTNPSR1

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