SCHEMBL1377353

SCHEMBL1377353

Cc1ccc(Cl)c(NS(=O)(=O)c2ccc(N3CCCNCC3)c3ccccc23)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 8/20 0.47
MAPT P10636 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
POLB P06746 1/20 0.45
GPR55 Q9Y2T6 1/20 0.45
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KEAP1 Q14145 1/20 0.42
HSD11B1 P28845 1/20 0.41
ACLY P53396 1/20 0.41
NCF1 P14598 1/20 0.41
HTR1A P08908 1/20 0.41
HTR3A P46098 1/20 0.41
GAA P10253 1/20 0.41
FABP4 P15090 1/20 0.41

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
SCHEMBL1379529 0.96 HTR6 (0.51) HTR6MAPTL3MBTL1POLBGPR55
SCHEMBL1378313 0.88 HTR6 (0.49) HTR6MAPTL3MBTL1MEN1LMNA
SCHEMBL1380554 0.85 KEAP1 (0.56) HTR6MAPTKDM4EMEN1LMNA
SCHEMBL1380560 0.84 HTR6 (0.53) HTR6MAPTNCF1HTR1AHTR3A
SCHEMBL3624092 0.81 KEAP1 (0.63) HTR6MAPTKDM4EMEN1LMNA
SCHEMBL1380901 0.79 HTR6 (0.55) HTR6
SCHEMBL1381586 0.79 HTR6 (0.56) HTR6MAPTL3MBTL1POLBGPR55
SCHEMBL1380651 0.79 HTR6 (0.60) HTR6NCF1HTR1A
SCHEMBL1380982 0.79 HTR6 (0.57) HTR6MAPTNCF1HTR1AHTR3A
SCHEMBL1381024 0.79 HTR6 (0.59) HTR6MAPTLMNAHTR1A

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
JP-4731114-B2 2011-07-20 JP claimed