SCHEMBL29328840

SCHEMBL29328840

N=C(/C=C(/Cc1ncc(F)cc1F)Nc1ccc(C(F)(F)F)cc1)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
MTOR P42345 2/20 0.34
MAPT P10636 1/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C19 P33261 2/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAOB P27338 1/20 0.33
USP36 Q9P275 1/20 0.33
EPHX2 P34913 1/20 0.33
TGM2 P21980 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
CYP2C9 P11712 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
GCGR P47871 1/20 0.32
NR3C1 P04150 1/20 0.31

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
SCHEMBL29328879 0.89 CYP3A4 (0.37) ALDH1A1MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL29328870 0.75 ALDH1A1 (0.37) ALDH1A1MTORLMNASMN1; SMN2MAOB
SCHEMBL29328867 0.74 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ALMNAEPHX2
SCHEMBL29328896 0.66 MAPT (0.52) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL14952144 0.62 RAB9A (0.35) ALDH1A1MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL23774882 0.61 KDM1A (0.41) KMT2AMAOB
SCHEMBL23084253 0.60 EPHX2 (0.59) ALDH1A1MEN1KMT2ALMNAEPHX2
SCHEMBL4966684 0.60 NFKB1 (0.58) CYP1A2CYP3A4CYP2C19LMNASMN1; SMN2
SCHEMBL29328913 0.60 ALDH1A1 (0.37) ALDH1A1KMT2ALMNASMN1; SMN2TGM2
SCHEMBL8303473 0.59 AGBL2 (0.47) ALDH1A1MEN1KMT2A

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