SCHEMBL1903709

SCHEMBL1903709

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

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.68
MAPK13 O15264 2/20 0.68
MAPK12 P53778 2/20 0.68
MAPK11 Q15759 2/20 0.68
MAPK14 Q16539 2/20 0.68
CNR2 P34972 2/20 0.67
CNR1 P21554 1/20 0.67
NPC1 O15118 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C19 P33261 1/20 0.57
RAB9A P51151 1/20 0.57
NPSR1 Q6W5P4 2/20 0.55
MAPK1 P28482 1/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
RXFP1 Q9HBX9 1/20 0.54
BRAF P15056 2/20 0.54
KDM4E B2RXH2 1/20 0.54
GRN P28799 1/20 0.54

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
SCHEMBL1900620 0.88 MAPK14 (0.59) MAPTMAPK13MAPK12MAPK11MAPK14
SCHEMBL1897017 0.87 BRAF (0.58) MAPTMAPK13MAPK12MAPK11MAPK14
SCHEMBL1903600 0.86 KDM4E (0.60) MAPTMAPK13MAPK12MAPK11MAPK14
SCHEMBL6059993 0.84 POLB (0.58) MAPTMAPK14CNR2CNR1NPSR1
SCHEMBL4425426 0.84 NPSR1 (0.59) MAPTMAPK13MAPK12MAPK11MAPK14
SCHEMBL66874 0.81 MAPK14 (1.00) MAPTMAPK13MAPK12MAPK11MAPK14
SCHEMBL4257557 0.80 AAK1 (0.55) MAPTMAPK14CNR2CNR1NPSR1
SCHEMBL1899685 0.79 NPSR1 (0.85) MAPTCNR2CNR1CYP1A2CYP2D6
SCHEMBL1898147 0.79 LMNA (0.55) MAPK14NPSR1MEN1KMT2ABRAF
SCHEMBL4071121 0.78 CNR1 (0.46) MAPTMAPK13MAPK12MAPK11MAPK14

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
EP-1252156-A1 BLOCKADE OF VOLTAGE DEPENDENT SODIUM CHANNELS University College London (GB) 2002-10-30 EP claimed
WO-2001057024-A1 BLOCKADE OF VOLTAGE DEPENDENT SODIUM CHANNELS UNIVERSITY COLLEGE LONDON (GB) 2001-08-09 WO claimed
EP-1252156-B1 BLOCKADE OF VOLTAGE DEPENDENT SODIUM CHANNELS UCL BUSINESS PLC (GB) 2011-05-04 EP disclosed