SCHEMBL6563179

SCHEMBL6563179

CNC(=O)C=C(c1cccc2ccccc12)c1cc2ccccc2c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.53
MMP3 P08254 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
NR4A1 P22736 1/20 0.42
NR4A2 P43354 1/20 0.42
NR4A3 Q92570 1/20 0.42
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
ALDH1A1 P00352 4/20 0.39
PGR P06401 1/20 0.39
GAA P10253 1/20 0.39
PTGS1 P23219 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PTPN1 P18031 1/20 0.39
CDC25B P30305 1/20 0.39
SOS1 Q07889 1/20 0.38

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
SCHEMBL6563174 1.00 PLK1 (0.53) PLK1MMP3HDAC8NR4A1NR4A2
SCHEMBL6562104 0.88 PLK1 (0.41) PLK1KMT2AMEN1RXFP1NPC1
SCHEMBL6562099 0.88 PLK1 (0.41) PLK1KMT2AMEN1RXFP1NPC1
SCHEMBL6563238 0.88 PLK1 (0.41) PLK1KMT2AMEN1RXFP1NPC1
SCHEMBL6561794 0.83 PLK1 (0.55) PLK1MMP3HDAC8NR4A1NR4A2
SCHEMBL6561798 0.83 PLK1 (0.55) PLK1MMP3HDAC8NR4A1NR4A2
SCHEMBL6561799 0.83 PLK1 (0.55) PLK1MMP3HDAC8NR4A1NR4A2
SCHEMBL6560689 0.82 MEN1 (0.42) PLK1KMT2AMEN1RXFP1NPC1
SCHEMBL6560678 0.82 MEN1 (0.42) PLK1KMT2AMEN1RXFP1NPC1
SCHEMBL6560683 0.82 MEN1 (0.42) PLK1KMT2AMEN1RXFP1NPC1

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
EP-0944581-A4 PROCESS OF PREPARING SUBSTITUTED ACRYLAMIDES LILLY CO ELI (US) 2004-09-08 EP disclosed
EP-0944581-A1 PROCESS OF PREPARING SUBSTITUTED ACRYLAMIDES ELI LILLY AND COMPANY (US) 1999-09-29 EP disclosed
WO-1998022429-A1 PROCESS OF PREPARING SUBSTITUTED ACRYLAMIDES ELI LILLY AND COMPANY (US) 1998-05-28 WO disclosed