SCHEMBL6561789

SCHEMBL6561789

CNC(=O)C#Cc1ccc(OC)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
MEN1 O00255 1/20 0.60
POLB P06746 1/20 0.60
KMT2A Q03164 1/20 0.60
NLRP3 Q96P20 1/20 0.60
APP P05067 3/20 0.54
NAAA Q02083 1/20 0.52
PLK1 P53350 1/20 0.50
ACACB O00763 2/20 0.49
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42

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
SCHEMBL17845127 0.81 APP (0.57) NPC1RAB9AMEN1POLBKMT2A
SCHEMBL18104880 0.81 APP (0.60) NPC1RAB9AMEN1POLBKMT2A
SCHEMBL8022190 0.81 PTPN11 (0.53) NPC1RAB9AMEN1POLBKMT2A
SCHEMBL670580 0.79 APP (0.58) NPC1RAB9AMEN1POLBKMT2A
SCHEMBL4485467 0.79 APP (0.58) NPC1RAB9AMEN1POLBKMT2A
SCHEMBL30056033 0.79 RAB9A (0.89) NPC1RAB9AMEN1POLBKMT2A
SCHEMBL6560738 0.78 SAE1 (0.47) NPC1RAB9AMEN1POLBKMT2A
SCHEMBL13701023 0.78 APP (0.57) NPC1RAB9AMEN1POLBKMT2A
SCHEMBL666992 0.78 APP (0.49) NPC1RAB9AMEN1POLBKMT2A
SCHEMBL4554708 0.77 NPSR1 (0.55) NPC1RAB9AMEN1POLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0944581-A4 PROCESS OF PREPARING SUBSTITUTED ACRYLAMIDES LILLY CO ELI (US) 2004-09-08 EP disclosed
US-6069247-A REACTING AN ACETYLENECARBOXY AMIDE AND AN ARYL OR HETEROCYCLYL HALIDE OR A GROUP ENHANCING THE ELECTROPHILICITY OF THE ATOM TO WHICH IT IS ATTACHED FOR DISPLACEMENT; USING A PALLADIUM COMPOUND CATALYST, A BASE AND AN ACID ELI LILLY AND COMPANY (US) 2000-05-30 US disclosed
EP-0944581-A1 PROCESS OF PREPARING SUBSTITUTED ACRYLAMIDES ELI LILLY AND COMPANY (US) 1999-09-29 EP disclosed
US-5917038-A REACTING PROPIOLAMIDE WITH ACTIVATED AROMATIC RING IN THE PRESENCE OF A PALLADIUM CATALYST ELI LILLY AND COMPANY (US) 1999-06-29 US disclosed
WO-1998022429-A1 PROCESS OF PREPARING SUBSTITUTED ACRYLAMIDES ELI LILLY AND COMPANY (US) 1998-05-28 WO disclosed