SCHEMBL6561880

SCHEMBL6561880

CNC(=O)/C=C(/c1cccc(F)c1)c1cccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.48
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
KCNJ11 Q14654 1/20 0.41
NPC1 O15118 3/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
ALOX12 P18054 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PKM P14618 1/20 0.41
CNR2 P34972 1/20 0.41
CASP3 P42574 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
CES2 O00748 1/20 0.40

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
SCHEMBL6560727 1.00 PLK1 (0.48) PLK1MEN1KMT2AKCNJ11NPC1
SCHEMBL6560724 1.00 PLK1 (0.48) PLK1MEN1KMT2AKCNJ11NPC1
SCHEMBL6560683 0.88 MEN1 (0.42) PLK1MEN1KMT2AKCNJ11NPC1
SCHEMBL6560678 0.88 MEN1 (0.42) PLK1MEN1KMT2AKCNJ11NPC1
SCHEMBL6560689 0.88 MEN1 (0.42) PLK1MEN1KMT2AKCNJ11NPC1
SCHEMBL6563253 0.85 TSHR (0.45) MEN1KMT2ANPC1LMNAKDM4E
SCHEMBL6563249 0.85 TSHR (0.45) MEN1KMT2ANPC1LMNAKDM4E
SCHEMBL6563174 0.79 PLK1 (0.53) PLK1MEN1KMT2ANPC1KDM4E
SCHEMBL6563179 0.79 PLK1 (0.53) PLK1MEN1KMT2ANPC1KDM4E
SCHEMBL6562127 0.79 PLK1 (0.47) PLK1KCNJ11NPC1HPGDRAB9A

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