SCHEMBL1378313

SCHEMBL1378313

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.49
HTR1A P08908 2/20 0.47
HTR3A P46098 2/20 0.47
MAPT P10636 2/20 0.46
TP53 P04637 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAP1LC3B Q9GZQ8 1/20 0.45
KEAP1 Q14145 1/20 0.45
FKBP1A P62942 1/20 0.44
NCF1 P14598 1/20 0.43
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MCOLN3 Q8TDD5 1/20 0.42
HSP90AA1 P07900 1/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL1380554 0.89 KEAP1 (0.56) HTR6HTR1AHTR3AMAPTMEN1
SCHEMBL1377353 0.88 HTR6 (0.47) HTR6HTR1AHTR3AMAPTMEN1
SCHEMBL1380560 0.85 HTR6 (0.53) HTR6HTR1AHTR3AMAPTNCF1
SCHEMBL3624092 0.85 KEAP1 (0.63) HTR6HTR1AHTR3AMAPTMEN1
SCHEMBL1379529 0.84 HTR6 (0.51) HTR6HTR1AHTR3AMAPTKEAP1
SCHEMBL3623223 0.81 KEAP1 (0.59) HTR6MAPTMEN1KMT2AKEAP1
SCHEMBL1381586 0.81 HTR6 (0.56) HTR6MAPTMEN1KMT2ANCF1
SCHEMBL1380651 0.81 HTR6 (0.60) HTR6HTR1ANCF1
SCHEMBL1380982 0.81 HTR6 (0.57) HTR6HTR1AHTR3AMAPTNCF1
Hydrochloric Acid SCHEMBL5550931 0.80 HTR6 (0.59) HTR6HTR1ANCF1ALDH1A1LMNA

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