SCHEMBL24914947

SCHEMBL24914947

C=CCN(C(=O)c1ccccc1)c1cccc(C(=O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2C(F)(F)F)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 1/20 0.38
KCNK9 Q9NPC2 1/20 0.38
RXFP1 Q9HBX9 5/20 0.38
KDM4E B2RXH2 1/20 0.38
AKR1C3 P42330 1/20 0.38
MAPT P10636 2/20 0.37
ITGB3 P05106 1/20 0.36
ITGAV P06756 1/20 0.36
ITGA2B P08514 1/20 0.36
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL30266722 0.88 POLQ (0.42) KCNK3KCNK9RXFP1KDM4EAKR1C3
SCHEMBL24914763 0.88 KCNK3 (0.35) KCNK3KCNK9RXFP1PPARGPPARD
SCHEMBL24914657 0.86 POLQ (0.42) KCNK3KCNK9RXFP1KDM4EAKR1C3
SCHEMBL23227807 0.86 HDAC8 (0.38) KCNK3KCNK9RXFP1KDM4EAKR1C3
SCHEMBL29857236 0.86 HDAC8 (0.38) KCNK3KCNK9RXFP1KDM4EAKR1C3
SCHEMBL29114032 0.86 HTT (0.40) KCNK3KCNK9RXFP1KDM4EAKR1C3
SCHEMBL31187253 0.85 KCNK3 (0.39) KCNK3KCNK9RXFP1KDM4EAKR1C3
SCHEMBL16439915 0.84 KCNK3 (0.42) KCNK3KCNK9RXFP1KDM4EAKR1C3
SCHEMBL23228021 0.81 MTTP (0.38) RXFP1KDM4EAKR1C3PPARGPPARD
SCHEMBL29857221 0.81 MTTP (0.38) RXFP1KDM4EAKR1C3PPARGPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112707836-B Preparation method of m-diamide compound 南通泰禾化工股份有限公司 2022-10-14 CN claimed
CN-112707836-A Preparation method of m-diamide compound 南通泰禾化工股份有限公司 2021-04-27 CN claimed
WO-2023284645-A1 AMIDE COMPOUND AND USE THEREOF 沈阳化工大学 2023-01-19 WO disclosed
CN-112707836-B Preparation method of m-diamide compound 南通泰禾化工股份有限公司 2022-10-14 CN disclosed
CN-112707836-A Preparation method of m-diamide compound 南通泰禾化工股份有限公司 2021-04-27 CN disclosed