SCHEMBL28731111

SCHEMBL28731111

CC(C)(C)OC(=O)NCc1ccc(NC(=O)NO)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.59
FPR3 P25089 1/20 0.53
FPR2 P25090 1/20 0.53
MAPT P10636 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
HDAC1 Q13547 4/20 0.52
HDAC6 Q9UBN7 3/20 0.52
NPC1 O15118 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.49
XBP1 P17861 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
GPR55 Q9Y2T6 1/20 0.48
GAA P10253 1/20 0.47
CYP17A1 P05093 1/20 0.47
TRPV1 Q8NER1 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PTPN11 Q06124 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL8258345 0.89 NAMPT (0.59) NAMPTFPR3FPR2MAPTTDP1
SCHEMBL4922883 0.86 NAMPT (0.63) NAMPTMAPTHDAC1NPC1SMN1; SMN2
SCHEMBL19694494 0.85 NAMPT (0.62) NAMPTFPR3FPR2MAPTTDP1
SCHEMBL26130392 0.85 POLB (0.57) NAMPTFPR3FPR2MAPTTDP1
SCHEMBL3180689 0.84 L3MBTL1 (0.61) NAMPTFPR3FPR2MAPTTDP1
SCHEMBL16193025 0.84 NAMPT (0.60) NAMPTFPR3FPR2MAPTTDP1
SCHEMBL2589540 0.84 NAMPT (0.60) NAMPTFPR3FPR2MAPTTDP1
SCHEMBL8253777 0.84 NAMPT (0.60) NAMPTFPR3FPR2MAPTTDP1
SCHEMBL15344407 0.84 NAMPT (0.60) NAMPTHDAC1HDAC6NPC1L3MBTL1
SCHEMBL23899245 0.83 NAMPT (0.72) NAMPTFPR3FPR2MAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109612981-B Recognition of cellular target binding of bioactive agents using intracellular bioluminescence resonance energy transfer 普洛麦格公司 2022-05-13 CN disclosed