SCHEMBL29328911

SCHEMBL29328911

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
KDM4E B2RXH2 1/20 0.33
EPHX2 P34913 1/20 0.33
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
KIF11 P52732 2/20 0.32
TGM2 P21980 1/20 0.32
PTGS1 P23219 2/20 0.31
LDHA P00338 1/20 0.31
LDHB P07195 1/20 0.31
FPR2 P25090 1/20 0.31
MAOB P27338 1/20 0.31
MTOR P42345 1/20 0.31
CDK1 P06493 1/20 0.30
RHOC P08134 1/20 0.30
RHOA P61586 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 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
SCHEMBL29328867 0.74 ALDH1A1 (0.46) ALDH1A1KDM4EEPHX2LMNAHTT
SCHEMBL29328896 0.65 MAPT (0.52) ALDH1A1KDM4EEPHX2LMNAHTT
SCHEMBL29328879 0.63 CYP3A4 (0.37) ALDH1A1KDM4ELMNAHTTKCNJ5
SCHEMBL29328840 0.62 ALDH1A1 (0.38) ALDH1A1EPHX2LMNATGM2MAOB
SCHEMBL29328851 0.60 MEN1 (0.48) ALDH1A1KDM4EEPHX2LMNAKIF11
SCHEMBL6437577 0.59 KIF11 (0.59) EPHX2KIF11TGM2PTGS1CDK1
SCHEMBL8996029 0.59 ALDH1A1 (0.47) ALDH1A1KDM4EEPHX2LMNAHTT
SCHEMBL14536312 0.59 ALDH1A1 (0.49) ALDH1A1EPHX2LMNAHTTKIF11
Hydrochloric Acid SCHEMBL11253689 0.58 KIF11 (0.58) EPHX2KIF11TGM2PTGS1CDK1
SCHEMBL8996507 0.57 KIF11 (0.53) ALDH1A1KDM4EEPHX2LMNAHTT

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