SCHEMBL29328867

SCHEMBL29328867

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
EPHX2 P34913 1/20 0.45
CDK1 P06493 1/20 0.43
TGM2 P21980 1/20 0.43
KIF11 P52732 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
TRPV1 Q8NER1 2/20 0.38
PTGS1 P23219 2/20 0.38

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
SCHEMBL29328896 0.78 MAPT (0.52) ALDH1A1EPHX2TGM2KDM4EMEN1
SCHEMBL29328840 0.74 ALDH1A1 (0.38) ALDH1A1EPHX2TGM2MEN1KMT2A
SCHEMBL29328911 0.74 ALDH1A1 (0.34) ALDH1A1EPHX2CDK1TGM2KIF11
SCHEMBL29328879 0.73 CYP3A4 (0.37) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL2094723 0.68 EPHX2 (0.66) ALDH1A1EPHX2CDK1TGM2KIF11
SCHEMBL29328851 0.68 MEN1 (0.48) ALDH1A1EPHX2TGM2KIF11RAB9A
SCHEMBL23084253 0.68 EPHX2 (0.59) ALDH1A1EPHX2TGM2KIF11NPC1
SCHEMBL21963543 0.68 EPHX2 (0.59) ALDH1A1EPHX2CDK1TGM2KIF11
SCHEMBL6437577 0.68 KIF11 (0.59) EPHX2CDK1TGM2KIF11NPC1
SCHEMBL24879921 0.67 EPHX2 (0.53) ALDH1A1EPHX2CDK1TGM2KIF11

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