SCHEMBL6563253

SCHEMBL6563253

CNC(=O)C=C(c1cccc(F)c1)c1ccccc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.45
LMNA P02545 4/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
NPC1 O15118 3/20 0.43
KDM4E B2RXH2 3/20 0.43
MAPT P10636 3/20 0.43
HPGD P15428 3/20 0.43
HTT P42858 3/20 0.43
ALOX12 P18054 1/20 0.43
SMN1; SMN2 Q16637 5/20 0.42
RAB9A P51151 2/20 0.42
PKM P14618 1/20 0.42
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
KCNK3 O14649 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
SCHEMBL6563249 1.00 TSHR (0.45) TSHRLMNAKMT2AMEN1NPC1
SCHEMBL6561880 0.85 PLK1 (0.48) TSHRLMNAKMT2AMEN1NPC1
SCHEMBL6560724 0.85 PLK1 (0.48) TSHRLMNAKMT2AMEN1NPC1
SCHEMBL6560727 0.85 PLK1 (0.48) TSHRLMNAKMT2AMEN1NPC1
SCHEMBL6560689 0.80 MEN1 (0.42) TSHRLMNAKMT2AMEN1NPC1
SCHEMBL6560683 0.80 MEN1 (0.42) TSHRLMNAKMT2AMEN1NPC1
SCHEMBL6560678 0.80 MEN1 (0.42) TSHRLMNAKMT2AMEN1NPC1
SCHEMBL9397130 0.78 POLB (0.54) TSHRLMNAKMT2AMEN1NPC1
SCHEMBL6561899 0.75 ALDH1A1 (0.60) LMNAKMT2AMEN1NPC1KDM4E
SCHEMBL6561870 0.75 ALDH1A1 (0.60) LMNAKMT2AMEN1NPC1KDM4E

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