SCHEMBL28636342

SCHEMBL28636342

CCOC(=O)CCSCC(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
TRPV4 Q9HBA0 1/20 0.35
MAPT P10636 6/20 0.35
ALDH1A1 P00352 5/20 0.35
SMN1; SMN2 Q16637 5/20 0.35
LMNA P02545 4/20 0.35
MAPK1 P28482 3/20 0.35
NPC1 O15118 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ALOX15 P16050 2/20 0.35
HSD17B10 Q99714 2/20 0.35
RAB9A P51151 1/20 0.35
ALOX12 P18054 1/20 0.34
EPHX2 P34913 1/20 0.34
KDM4E B2RXH2 1/20 0.33
GFER P55789 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RXFP1 Q9HBX9 3/20 0.31
GAA P10253 1/20 0.31
PKM P14618 1/20 0.31
TP53 P04637 1/20 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
SCHEMBL28622183 0.85 LMNA (0.35) TRPV4MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL5181483 0.85 MAPT (0.38) MAPTALDH1A1SMN1; SMN2LMNAMAPK1
SCHEMBL7098229 0.82 EPHX2 (0.38) MAPTALDH1A1SMN1; SMN2LMNAMAPK1
SCHEMBL4876568 0.81 EPHX2 (0.36) MAPTALDH1A1SMN1; SMN2LMNAMAPK1
SCHEMBL28621890 0.81 L3MBTL1 (0.35) MAPTALDH1A1SMN1; SMN2LMNAMAPK1
SCHEMBL13933017 0.80 EPHX2 (0.36) MAPTALDH1A1SMN1; SMN2LMNAMAPK1
Flubendiamide SCHEMBL27362 0.79 EPHX2 (0.36) MAPTALDH1A1SMN1; SMN2LMNAMAPK1
Flubendiamide SCHEMBL4054589 0.79 EPHX2 (0.36) MAPTALDH1A1SMN1; SMN2LMNAMAPK1
Flubendiamide SCHEMBL29369179 0.79 EPHX2 (0.36) MAPTALDH1A1SMN1; SMN2LMNAMAPK1
SCHEMBL6292445 0.78 EPHX2 (0.38) MAPTALDH1A1SMN1; SMN2LMNAMAPK1

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