SCHEMBL3686241

SCHEMBL3686241

CN(C)CCN(C)c1cccc(C(=O)C=Cc2ccccc2CN(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 6/20 0.45
NR1H4 Q96RI1 1/20 0.40
LMNA P02545 3/20 0.38
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
ALPG P10696 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TLR9 Q9NR96 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAOB P27338 1/20 0.38
BCHE P06276 3/20 0.37
RELA Q04206 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ACHE P22303 1/20 0.37

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
SCHEMBL3685871 1.00 PTPN1 (0.45) PTPN1NR1H4LMNAMAPTALDH1A1
SCHEMBL3688014 0.87 MAPT (0.45) PTPN1LMNAMAPTALDH1A1MEN1
SCHEMBL3691225 0.86 MAPT (0.38) PTPN1LMNAMAPTALDH1A1MEN1
SCHEMBL3696585 0.86 MAPT (0.38) PTPN1LMNAMAPTALDH1A1MEN1
SCHEMBL3694295 0.85 MAPT (0.53) PTPN1NR1H4LMNAMAPTALDH1A1
SCHEMBL3685597 0.85 ABCG2 (0.51) PTPN1LMNAMAPTALDH1A1MEN1
SCHEMBL3683953 0.83 HDAC3 (0.46) PTPN1LMNAMAPTALDH1A1MEN1
SCHEMBL3689186 0.83 HDAC3 (0.46) PTPN1LMNAMAPTALDH1A1MEN1
SCHEMBL3689339 0.82 MAPT (0.44) PTPN1LMNAMAPTALDH1A1MEN1
SCHEMBL3693379 0.82 MAPT (0.44) PTPN1LMNAMAPTALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060235073-A1 Diamino-functional chalcones LICA PHARMACEUTICALS A/S (DK) 2006-10-19 US claimed
EP-1506158-A2 DIAMINO-FUNCTIONAL CHALCONES Lica Pharmaceuticals A/S (DK) 2005-02-16 EP claimed
WO-2003097576-A2 DIAMINO-FUNCTIONAL CHALCONES LICA PHARMACEUTICALS A/S (DK) 2003-11-27 WO claimed
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
EP-1506158-A2 DIAMINO-FUNCTIONAL CHALCONES Lica Pharmaceuticals A/S (DK) 2005-02-16 EP disclosed
WO-2003097576-A2 DIAMINO-FUNCTIONAL CHALCONES LICA PHARMACEUTICALS A/S (DK) 2003-11-27 WO disclosed