SCHEMBL21705045

SCHEMBL21705045

O=C(Nc1c(Br)cc(C(F)(C(F)(F)F)C(F)(F)F)cc1OC(F)(F)F)c1cccc(N(CC2CC2)C(=O)c2ccccc2)c1F

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.35
KCNK3 O14649 4/20 0.33
KCNK9 Q9NPC2 4/20 0.33
DHODH Q02127 2/20 0.33
GPBAR1 Q8TDU6 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
ADRA2A P08913 2/20 0.31
NPY5R Q15761 2/20 0.31
MCHR1 Q99705 2/20 0.31
RXFP1 Q9HBX9 1/20 0.31
F2R P25116 1/20 0.31
BRAF P15056 1/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
LPAR1 Q92633 1/20 0.30
LPAR5 Q9H1C0 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
SCHEMBL29379388 1.00 HDAC8 (0.35) HDAC8KCNK3KCNK9DHODHGPBAR1
SCHEMBL21707903 0.92 HDAC8 (0.39) HDAC8KCNK3KCNK9GPBAR1HDAC1
SCHEMBL23264273 0.92 KCNK3 (0.37) HDAC8KCNK3KCNK9DHODHGPBAR1
SCHEMBL21707892 0.91 HDAC8 (0.33) HDAC8RXFP1
SCHEMBL29738321 0.91 HDAC8 (0.33) HDAC8RXFP1
SCHEMBL23264279 0.91 PDE4B (0.34) HDAC8DHODHGPBAR1HDAC1HDAC6
SCHEMBL29431906 0.91 PDE4B (0.34) HDAC8DHODHGPBAR1HDAC1HDAC6
SCHEMBL21707901 0.89 HDAC8 (0.39) HDAC8KCNK3KCNK9DHODHGPBAR1
SCHEMBL21693652 0.88 HDAC8 (0.36) HDAC8KCNK3KCNK9GPBAR1HDAC1
SCHEMBL21707905 0.88 HDAC8 (0.38) HDAC8KCNK3KCNK9GPBAR1HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113767907-B Pharmaceutical composition containing m-diamide compounds and application thereof 南通泰禾化工股份有限公司 2022-11-29 CN disclosed
CN-113767908-B Pharmaceutical composition containing m-diamide compound and application thereof 南通泰禾化工股份有限公司 2022-11-18 CN disclosed
CN-110028423-B Meta-diamide compound and preparation method and application thereof 上海晓明检测技术服务有限公司 2022-07-01 CN disclosed
CN-110810410-B Pharmaceutical composition containing m-diamide compound and application thereof 南通泰禾化工股份有限公司 2022-02-11 CN disclosed
CN-113767908-A Pharmaceutical composition containing m-diamide compound and application thereof 南通泰禾化工股份有限公司 2021-12-10 CN disclosed
CN-113767907-A Pharmaceutical composition containing m-diamide compound and application thereof 南通泰禾化工股份有限公司 2021-12-10 CN disclosed
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-110810409-B Pharmaceutical composition containing m-diamide compound and application thereof 南通泰禾化工股份有限公司 2021-10-08 CN disclosed
CN-110810412-B Pharmaceutical composition containing m-diamide compound and application thereof 苏州佳辉化工有限公司 2021-10-01 CN disclosed
CN-110810414-B Pharmaceutical composition containing m-diamide compound and application thereof 苏州佳辉化工有限公司 2021-09-24 CN disclosed
CN-110810414-A Pharmaceutical composition containing m-diamide compound and application thereof 苏州佳辉化工有限公司 2020-02-21 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
CN-110810409-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
CN-110810410-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
CN-110810412-A Pharmaceutical composition containing m-diamide compound and application thereof 苏州佳辉化工有限公司 2020-02-21 CN disclosed
WO-2020030092-A1 PHARMACEUTICAL COMPOSITION CONTAINING M-DIAMIDE COMPOUND AND APPLICATION THEREOF 上海泰禾国际贸易有限公司 2020-02-13 WO 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