SCHEMBL3688014

SCHEMBL3688014

CN(C)CCN(C)c1ccc(C(=O)C=Cc2ccccc2CN(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
KMT2A Q03164 2/20 0.45
CASP3 P42574 1/20 0.45
CYP1B1 Q16678 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
BCHE P06276 6/20 0.44
ACHE P22303 5/20 0.44
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
PTPN1 P18031 1/20 0.40
MAOB P27338 3/20 0.40
LMNA P02545 3/20 0.39
ATM Q13315 1/20 0.39
MAPK1 P28482 1/20 0.39
MEN1 O00255 1/20 0.39

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 0.87 PTPN1 (0.45) MAPTNPC1RAB9AKMT2ABCHE
SCHEMBL3686241 0.87 PTPN1 (0.45) MAPTNPC1RAB9AKMT2ABCHE
SCHEMBL3691225 0.84 MAPT (0.38) MAPTSMN1; SMN2KMT2ABCHEACHE
SCHEMBL3696585 0.84 MAPT (0.38) MAPTSMN1; SMN2KMT2ABCHEACHE
SCHEMBL3685711 0.84 BCHE (0.58) MAPTSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL5915789 0.83 MAOB (0.44) MAPTSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL5915673 0.83 MAOB (0.44) MAPTSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL5915682 0.82 BCHE (0.43) MAPTSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL5915546 0.82 BCHE (0.43) MAPTSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL5915402 0.82 MAPT (0.59) MAPTSMN1; SMN2NPC1KMT2ACYP1B1

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 3 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
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