SCHEMBL6560683

SCHEMBL6560683

CNC(=O)C=C(c1cccc(F)c1)c1cc2ccccc2c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42
NPC1 O15118 4/20 0.39
RAB9A P51151 3/20 0.39
KDM4E B2RXH2 2/20 0.39
CASP3 P42574 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
KCNJ11 Q14654 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
LMNA P02545 3/20 0.37
MAPT P10636 3/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
ALOX12 P18054 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37

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
SCHEMBL6560678 1.00 MEN1 (0.42) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL6560689 1.00 MEN1 (0.42) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL6560727 0.88 PLK1 (0.48) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL6560724 0.88 PLK1 (0.48) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL6561880 0.88 PLK1 (0.48) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL6563174 0.82 PLK1 (0.53) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL6563179 0.82 PLK1 (0.53) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL6563253 0.80 TSHR (0.45) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL6563249 0.80 TSHR (0.45) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL6563238 0.79 PLK1 (0.41) MEN1KMT2ANPC1RAB9AKDM4E

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