SCHEMBL19688329

SCHEMBL19688329

CCC(=O)N(C)Nc1cccc(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
LMNA P02545 4/20 0.49
HTT P42858 2/20 0.49
ALDH1A1 P00352 1/20 0.49
RAB9A P51151 5/20 0.48
NPC1 O15118 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TP53 P04637 1/20 0.48
TSHR P16473 1/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NOX1 Q9Y5S8 1/20 0.48
CLK1 P49759 1/20 0.47
CLK2 P49760 1/20 0.47
GAA P10253 2/20 0.46
TRPV1 Q8NER1 1/20 0.46

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
SCHEMBL19639769 0.78 TP53 (0.57) MAPTMEN1KMT2ALMNAHTT
SCHEMBL5547478 0.74 GAA (0.56) MAPTMEN1KMT2ALMNAHTT
SCHEMBL4126168 0.73 RAB9A (0.67) MAPTMEN1KMT2ALMNAHTT
SCHEMBL11305899 0.73 MEN1 (0.44) MAPTMEN1KMT2ALMNAHTT
SCHEMBL8885412 0.72 MAPT (0.49) MAPTMEN1KMT2ALMNAHTT
SCHEMBL2461958 0.70 MEN1 (0.65) MAPTMEN1KMT2ALMNAHTT
SCHEMBL11643923 0.70 CA12 (0.61) MAPTMEN1KMT2ALMNAHTT
SCHEMBL1189665 0.70 MAPT (0.66) MAPTMEN1KMT2ALMNAHTT
SCHEMBL10948847 0.70 MEN1 (0.59) MAPTMEN1KMT2ALMNAHTT
SCHEMBL30599557 0.70 MAPT (0.66) MAPTMEN1KMT2ALMNAHTT

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
WO-2017207433-A1 HETETOCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF A DISEASE IN WHICH HNE IS IMPLICATED CHIESI FARMACEUTICI S.P.A. (IT) 2017-12-07 WO disclosed