SCHEMBL29396019

SCHEMBL29396019

O=C(Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1C(F)(F)F)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C19 P33261 1/20 0.56
HDAC1 Q13547 2/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
P2RX1 P51575 1/20 0.52
NPC1 O15118 1/20 0.51
LMNA P02545 3/20 0.50
MAPT P10636 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
HDAC2 Q92769 1/20 0.50
KCNK3 O14649 2/20 0.49
KCNK9 Q9NPC2 1/20 0.49
RXFP1 Q9HBX9 1/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 2/20 0.47
PTGS1 P23219 1/20 0.47

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
SCHEMBL16440059 0.84 RXFP1 (0.54) RAB9ACYP1A2CYP2D6CYP2C19HDAC1
SCHEMBL30007749 0.84 TRPV1 (0.58) RAB9ACYP1A2CYP2D6CYP2C19MAPT
SCHEMBL16440020 0.83 MAPT (0.56) RAB9ANPC1LMNAMAPTMEN1
SCHEMBL13885737 0.82 RAB9A (0.58) RAB9ACYP1A2CYP2D6CYP2C19HDAC1
SCHEMBL7740936 0.82 HDAC1 (0.64) RAB9ACYP1A2CYP2D6CYP2C19HDAC1
SCHEMBL29549701 0.81 HDAC1 (0.48) RAB9AHDAC1HDAC8HDAC6P2RX1
SCHEMBL7748111 0.81 RAB9A (0.83) RAB9ACYP1A2CYP2D6CYP2C19HDAC1
SCHEMBL3528827 0.81 MAPT (0.62) RAB9ACYP1A2CYP2D6CYP2C19HDAC1
SCHEMBL28652032 0.81 KCNMA1 (0.60) RAB9ACYP1A2CYP2D6CYP2C19HDAC1
SCHEMBL6170575 0.80 POLB (0.67) RAB9AHDAC1HDAC8HDAC6NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118908850-A Meta-diamide compound and application thereof as pesticide 深圳大学 2024-11-08 CN disclosed
CN-112707835-B Bromination method of m-diamide compound 长沙嘉桥生物科技有限公司 2022-10-21 CN disclosed
EP-3812366-B1 A PREPARATION METHOD FOR M-DIAMIDE COMPOUNDS CAC NANTONG CHEMICAL CO LTD (CN) 2022-02-16 EP disclosed