SCHEMBL3689339

SCHEMBL3689339

CN(C)CCN(C)c1cccc(C(=O)/C=C/c2ccc(O)c(CN(C)C)c2)c1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
POLB P06746 2/20 0.44
KMT2A Q03164 2/20 0.44
ALPG P10696 1/20 0.44
ATM Q13315 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TLR9 Q9NR96 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SNCA P37840 2/20 0.43
TERT O14746 1/20 0.43
RELA Q04206 1/20 0.43
PTPN1 P18031 1/20 0.41
RECQL P46063 1/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 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
SCHEMBL3693379 1.00 MAPT (0.44) MAPTMEN1ALDH1A1LMNAPOLB
SCHEMBL3689343 0.91 P4HB (0.43) MAPTSNCATERTBCHEACHE
SCHEMBL3691580 0.85 BCHE (0.56) MAPTMEN1ALDH1A1LMNAPOLB
SCHEMBL3696162 0.85 BCHE (0.56) MAPTMEN1ALDH1A1LMNAPOLB
SCHEMBL5915556 0.84 MAPT (0.44) MAPTMEN1ALDH1A1LMNAPOLB
SCHEMBL5915721 0.84 MAPT (0.44) MAPTMEN1ALDH1A1LMNAPOLB
SCHEMBL3692346 0.84 BCHE (0.57) BCHE
SCHEMBL3682839 0.84 BCHE (0.57) BCHE
SCHEMBL3687869 0.83 BCHE (0.54) MAPTMEN1ALDH1A1LMNAPOLB
SCHEMBL3686241 0.82 PTPN1 (0.45) MAPTMEN1ALDH1A1LMNAPOLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7642367-B2 Diamino-functional chalcones LICA PHARMACEUTICALS A/S (DK) 2010-01-05 US disclosed
US-20060235073-A1 Diamino-functional chalcones LICA PHARMACEUTICALS A/S (DK) 2006-10-19 US disclosed