SCHEMBL1900139

SCHEMBL1900139

CCn1nc(-c2cccs2)cc1C(=O)Nc1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.53
KDM4E B2RXH2 6/20 0.49
ALDH1A1 P00352 5/20 0.49
MAPT P10636 5/20 0.47
NPSR1 Q6W5P4 1/20 0.47
LMNA P02545 3/20 0.47
HTT P42858 2/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
FLT1 P17948 1/20 0.47
KDR P35968 1/20 0.47
TP53 P04637 1/20 0.47
THRB P10828 1/20 0.47
F2 P00734 1/20 0.47
HPGD P15428 2/20 0.45
STAT3 P40763 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL1898414 0.90 MAPT (0.50) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL28123456 0.79 MAPT (0.61) KDM4EALDH1A1MAPTNPSR1LMNA
SCHEMBL3064335 0.79 L3MBTL1 (0.56) KDM4EALDH1A1HTTMEN1KMT2A
SCHEMBL28838815 0.78 HDAC6 (0.58) ALDH1A1MAPTNPSR1MEN1KMT2A
SCHEMBL4765993 0.77 RAB9A (0.42) KDM4EALDH1A1MAPTLMNAKMT2A
SCHEMBL1898402 0.75 SMN1; SMN2 (0.52) KDM4EALDH1A1MAPTLMNAMEN1
SCHEMBL7744999 0.75 TASP1 (0.55) KDM4EALDH1A1MAPTNPSR1LMNA
SCHEMBL1899260 0.74 ALDH1A1 (0.54) POLBKDM4EALDH1A1MAPTNPSR1
SCHEMBL4818615 0.73 MAPK14 (0.66)
Trifluoroacetic Acid SCHEMBL4765216 0.73 SLC2A1 (0.40) KDM4EALDH1A1MAPTLMNAMEN1

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