SCHEMBL3697640

SCHEMBL3697640

CN(C)CCN(C)c1cccc(/C=C/C(=O)c2ccccc2F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 14/20 0.43
MAOA P21397 4/20 0.42
HSP90AA1 P07900 1/20 0.42
BCHE P06276 2/20 0.42
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41
TUBB8 Q3ZCM7 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
SCHEMBL3694293 1.00 MAOB (0.43) MAOBMAOAHSP90AA1BCHEMEN1
SCHEMBL3688003 0.89 MAOB (0.45) MAOBMAOAMEN1MAPTKMT2A
SCHEMBL3683356 0.89 MAOB (0.45) MAOBMAOAMEN1MAPTKMT2A
SCHEMBL3687209 0.87 MAPT (0.43) MAOBMAOAHSP90AA1MEN1MAPT
SCHEMBL3690634 0.87 MAPT (0.43) MAOBMAOAHSP90AA1MEN1MAPT
SCHEMBL3685596 0.86 PTGS1 (0.52) MAOBMAOAHSP90AA1BCHEMEN1
SCHEMBL3691669 0.86 PTGS1 (0.52) MAOBMAOAHSP90AA1BCHEMEN1
SCHEMBL3685872 0.85 MAOB (0.42) MAOBMAOAHSP90AA1BCHEMEN1
SCHEMBL3690207 0.83 BCHE (0.54) MAOBBCHENPC1MAPTRAB9A
SCHEMBL3687867 0.83 BCHE (0.54) MAOBBCHENPC1MAPTRAB9A

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