SCHEMBL28622183

SCHEMBL28622183

CCOC(=O)CCS(=O)(=O)CC(C)(C)NC(=O)c1c(I)cccc1C(=O)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.35
MAPT P10636 5/20 0.35
SMN1; SMN2 Q16637 5/20 0.35
ALDH1A1 P00352 4/20 0.35
ALOX12 P18054 1/20 0.35
TRPV4 Q9HBA0 1/20 0.34
MAPK1 P28482 4/20 0.34
HSD17B10 Q99714 3/20 0.34
NPC1 O15118 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
ALOX15 P16050 1/20 0.34
RAB9A P51151 1/20 0.34
KDM4E B2RXH2 2/20 0.34
EPHX2 P34913 1/20 0.33
CCR8 P51685 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
GFER P55789 1/20 0.31
RXFP1 Q9HBX9 2/20 0.31
GAA P10253 1/20 0.31
TSHR P16473 2/20 0.31

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
SCHEMBL28622366 0.90 NR1H4 (0.34) LMNAMAPTSMN1; SMN2ALDH1A1MAPK1
Flubendiamide SCHEMBL29369179 0.87 EPHX2 (0.36) LMNAMAPTSMN1; SMN2ALDH1A1MAPK1
Flubendiamide SCHEMBL27362 0.87 EPHX2 (0.36) LMNAMAPTSMN1; SMN2ALDH1A1MAPK1
Flubendiamide SCHEMBL4054589 0.87 EPHX2 (0.36) LMNAMAPTSMN1; SMN2ALDH1A1MAPK1
Flubendiamide SCHEMBL15798517 0.86 EPHX2 (0.35) LMNAMAPTSMN1; SMN2ALDH1A1MAPK1
SCHEMBL28636342 0.85 TRPV4 (0.35) LMNAMAPTSMN1; SMN2ALDH1A1ALOX12
SCHEMBL5486752 0.84 EPHX2 (0.35) LMNAMAPTSMN1; SMN2ALDH1A1MAPK1
SCHEMBL13121150 0.83 MAPT (0.34) LMNAMAPTSMN1; SMN2ALDH1A1MAPK1
SCHEMBL13612662 0.83 RXFP1 (0.36) LMNAMAPTSMN1; SMN2ALDH1A1MAPK1
SCHEMBL1886992 0.83 EPHX2 (0.36) LMNAMAPTSMN1; SMN2ALDH1A1MAPK1

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-108640866-B Flubendiamide antigen and preparation method and application thereof 中国农业大学 2021-08-31 CN disclosed