SCHEMBL21707903

SCHEMBL21707903

O=C(Nc1c(Br)cc(C(F)(C(F)(F)F)C(F)(F)F)cc1Br)c1cccc(N(CC2CC2)C(=O)c2ccccc2)c1F

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.39
GPBAR1 Q8TDU6 1/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
TRPV4 Q9HBA0 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD11B1 P28845 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
F2R P25116 1/20 0.32
S1PR1 P21453 1/20 0.31
RXFP1 Q9HBX9 4/20 0.31
KCNK3 O14649 1/20 0.31
KCNK9 Q9NPC2 1/20 0.31
SLC6A9 P48067 1/20 0.31
RORC P51449 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL21707901 0.95 HDAC8 (0.39) HDAC8GPBAR1HDAC1HDAC6TRPV4
SCHEMBL21693652 0.94 HDAC8 (0.36) HDAC8GPBAR1HDAC1HDAC6TRPV4
SCHEMBL21707905 0.94 HDAC8 (0.38) HDAC8GPBAR1HDAC1HDAC6TRPV4
SCHEMBL21707904 0.93 HDAC8 (0.41) HDAC8GPBAR1HDAC1HDAC6TRPV4
SCHEMBL21705045 0.92 HDAC8 (0.35) HDAC8GPBAR1HDAC1HDAC6F2R
SCHEMBL29379388 0.92 HDAC8 (0.35) HDAC8GPBAR1HDAC1HDAC6F2R
SCHEMBL28362281 0.91 SLC6A2 (0.36) HDAC8GPBAR1HDAC1HDAC6MEN1
SCHEMBL23264279 0.91 PDE4B (0.34) HDAC8GPBAR1HDAC1HDAC6
SCHEMBL29431906 0.91 PDE4B (0.34) HDAC8GPBAR1HDAC1HDAC6
SCHEMBL21693739 0.91 RXFP1 (0.36) HDAC8HDAC1HDAC6HSD11B1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113729015-A Pharmaceutical composition containing m-diamide compound and application thereof 南通泰禾化工股份有限公司 2021-12-03 CN disclosed
CN-110810413-B Pharmaceutical composition containing m-diamide compound and application thereof 南通泰禾化工股份有限公司 2021-11-23 CN disclosed
CN-110810413-A Pharmaceutical composition containing m-diamide compound and application thereof 上海泰禾国际贸易有限公司 2020-02-21 CN disclosed
WO-2020030095-A1 PHARMACEUTICAL COMPOSITION CONTAINING META-DIAMIDE COMPOUND AND USE THEREOF 上海泰禾国际贸易有限公司 2020-02-13 WO disclosed