SCHEMBL29328896

SCHEMBL29328896

CCOC(=O)C/C(=C/C(=N)C(F)(F)F)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
NPSR1 Q6W5P4 1/20 0.48
ALDH1A1 P00352 1/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
IDH1 O75874 2/20 0.42
EPHX2 P34913 1/20 0.42
FPR2 P25090 2/20 0.42
TGM2 P21980 1/20 0.41
LMNA P02545 2/20 0.40
HTT P42858 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.40
TLR2 O60603 1/20 0.40
TRPV1 Q8NER1 1/20 0.39

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 0.78 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AEPHX2TGM2
SCHEMBL28709827 0.78 TSHR (0.64) MAPTNPSR1MEN1KMT2AIDH1
SCHEMBL8996026 0.76 MAPT (0.54) MAPTNPSR1ALDH1A1MEN1KMT2A
SCHEMBL334060 0.75 SMN1; SMN2 (0.55) MAPTMEN1KMT2AEPHX2LMNA
SCHEMBL334061 0.75 SMN1; SMN2 (0.55) MAPTMEN1KMT2AEPHX2LMNA
SCHEMBL25711731 0.75 L3MBTL1 (0.39) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL7471768 0.73 MAPT (0.59) MAPTNPSR1ALDH1A1MEN1KMT2A
SCHEMBL1387703 0.73 MAPT (0.52) MAPTNPSR1ALDH1A1MEN1KMT2A
SCHEMBL27350327 0.73 MEN1 (0.65) MAPTNPSR1ALDH1A1MEN1KMT2A
SCHEMBL333389 0.72 POLB (0.60) MAPTALDH1A1MEN1KMT2AEPHX2

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