SCHEMBL29328851

SCHEMBL29328851

N=C(/C=C\Nc1ccc(C(F)(F)F)cc1)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 3/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GAA P10253 1/20 0.42
EPHX2 P34913 1/20 0.42
TGM2 P21980 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KIF11 P52732 3/20 0.38
MAOB P27338 1/20 0.37
HDAC3 O15379 1/20 0.37
ADAM17 P78536 1/20 0.37
HDAC1 Q13547 1/20 0.37

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
SCHEMBL20249608 0.83 MEN1 (0.44) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL21610810 0.79 MAPT (0.42) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL5543119 0.72 TGM2 (0.46) MAPTL3MBTL1GAAEPHX2TGM2
SCHEMBL5543113 0.72 TGM2 (0.46) MAPTL3MBTL1GAAEPHX2TGM2
SCHEMBL22246680 0.69 MEN1 (0.48) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL30513175 0.69 NPC1 (0.77) MEN1KMT2AKDM4EMAPTGAA
SCHEMBL11023642 0.68 EPHX2 (0.58) EPHX2TGM2RAB9AKIF11CA12
SCHEMBL5536330 0.68 TGM2 (0.42) MAPTL3MBTL1GAAEPHX2TGM2
SCHEMBL5536333 0.68 TGM2 (0.42) MAPTL3MBTL1GAAEPHX2TGM2
SCHEMBL29328867 0.68 ALDH1A1 (0.46) MEN1KMT2AKDM4ELMNAL3MBTL1

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
WO-2024149676-A1 HERBICIDAL PYRAZOLE COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2024-07-18 WO disclosed