SCHEMBL1897017

SCHEMBL1897017

Cn1nc(C(C)(C)C)cc1C(=O)Nc1ccc(Cl)c(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.58
ALOX15 P16050 1/20 0.53
CNR1 P21554 1/20 0.53
CNR2 P34972 1/20 0.53
MAPT P10636 3/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
MAPK14 Q16539 2/20 0.52
MAPK13 O15264 1/20 0.52
MAPK12 P53778 1/20 0.52
MAPK11 Q15759 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
KDM4E B2RXH2 1/20 0.51
GRN P28799 1/20 0.51
SORT1 Q99523 1/20 0.51
NPSR1 Q6W5P4 2/20 0.50
MAPK1 P28482 1/20 0.50
AAK1 Q2M2I8 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49

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
SCHEMBL1903709 0.87 MAPT (0.68) BRAFCNR1CNR2MAPTMEN1
SCHEMBL1900620 0.83 MAPK14 (0.59) BRAFCNR1CNR2MAPTMEN1
SCHEMBL1903600 0.81 KDM4E (0.60) BRAFCNR1CNR2MAPTMEN1
SCHEMBL1897821 0.80 NPSR1 (0.78) CNR1CNR2MAPTMEN1KMT2A
SCHEMBL4257557 0.80 AAK1 (0.55) BRAFCNR1CNR2MAPTMAPK14
SCHEMBL6059993 0.80 POLB (0.58) CNR1CNR2MAPTMEN1KMT2A
SCHEMBL4425426 0.80 NPSR1 (0.59) CNR1CNR2MAPTMEN1KMT2A
SCHEMBL4257553 0.78 INSR (0.49) BRAFCNR1CNR2MAPTSMN1; SMN2
SCHEMBL17936110 0.77 BRAF (0.47) BRAFCNR1CNR2MAPTSMN1; SMN2
SCHEMBL1898147 0.77 LMNA (0.55) BRAFMEN1KMT2AMAPK14KDM4E

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