SCHEMBL20119968

SCHEMBL20119968

CC(C)(C)OC(=O)NCc1ccc(NC=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.50
FPR3 P25089 1/20 0.48
FPR2 P25090 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 4/20 0.47
TDP1 Q9NUW8 3/20 0.47
CA1 P00915 2/20 0.45
CA2 P00918 1/20 0.45
NPSR1 Q6W5P4 3/20 0.44
BRD4 O60885 1/20 0.44
XBP1 P17861 1/20 0.44
GPR55 Q9Y2T6 1/20 0.44
HDAC1 Q13547 3/20 0.44
HDAC6 Q9UBN7 1/20 0.43
RECQL P46063 1/20 0.42
CYP17A1 P05093 1/20 0.42
KDM4A O75164 1/20 0.42
SDCBP O00560 1/20 0.42
SDC2 P34741 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
SCHEMBL3180689 0.86 L3MBTL1 (0.61) NAMPTL3MBTL1FPR3FPR2GAA
SCHEMBL3307112 0.85 L3MBTL1 (0.52) NAMPTL3MBTL1GAAMAPTTDP1
SCHEMBL24891699 0.84 CA1 (0.44) NAMPTL3MBTL1FPR3FPR2GAA
SCHEMBL694492 0.83 L3MBTL1 (0.53) NAMPTL3MBTL1FPR3FPR2GAA
SCHEMBL732456 0.83 NAMPT (0.57) NAMPTL3MBTL1FPR3FPR2GAA
SCHEMBL208544 0.82 EPHX2 (0.57) NAMPTL3MBTL1FPR3FPR2GAA
SCHEMBL13781495 0.81 L3MBTL1 (0.54) NAMPTL3MBTL1FPR3FPR2GAA
SCHEMBL20027988 0.81 NAMPT (0.55) NAMPTL3MBTL1FPR3FPR2GAA
SCHEMBL19694494 0.81 NAMPT (0.62) NAMPTL3MBTL1FPR3FPR2GAA
SCHEMBL5796279 0.80 L3MBTL1 (0.56) NAMPTL3MBTL1GAAMAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3512851-B1 BETA-LACTAMASE INHIBITOR COMPOUNDS ENTASIS THERAPEUTICS LTD (GB) 2022-07-06 EP disclosed
EP-2822559-B1 IMIDAZO[1,2-B]PYRIDAZINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND USES THEREOF LEXICON PHARMACEUTICALS INC (US) 2018-05-02 EP disclosed