SCHEMBL29794040

SCHEMBL29794040

COc1cc(C=NNc2ccc(C(F)(F)F)cn2)cc(OC)c1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 1.00
GAA P10253 10/20 1.00
KMT2A Q03164 9/20 1.00
MEN1 O00255 8/20 0.80
KDM4E B2RXH2 6/20 0.80
HPGD P15428 3/20 0.66
LMNA P02545 2/20 0.66
RAB9A P51151 8/20 0.65
SMN1; SMN2 Q16637 5/20 0.65
NPC1 O15118 5/20 0.65
CDK5 Q00535 4/20 0.65
CDK5R1 Q15078 4/20 0.65
GFER P55789 2/20 0.65
ALDH1A1 P00352 3/20 0.64
GSK3A P49840 1/20 0.63
GSK3B P49841 1/20 0.63
POLB P06746 2/20 0.62
HTT P42858 3/20 0.57
TDP1 Q9NUW8 1/20 0.56
TP53 P04637 1/20 0.54

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
SCHEMBL28473939 1.00 MAPT (1.00) MAPTGAAKMT2AMEN1KDM4E
SCHEMBL28475909 0.86 MAPT (0.84) MAPTGAAKMT2AMEN1KDM4E
SCHEMBL29793935 0.84 KMT2A (0.73) MAPTGAAKMT2AMEN1KDM4E
SCHEMBL28900952 0.84 KMT2A (0.73) MAPTGAAKMT2AMEN1KDM4E
SCHEMBL28956688 0.80 KMT2A (0.80) MAPTGAAKMT2AMEN1KDM4E
SCHEMBL28484863 0.80 KMT2A (0.73) MAPTGAAKMT2AMEN1KDM4E
SCHEMBL28863297 0.79 KMT2A (1.00) MAPTGAAKMT2AMEN1KDM4E
SCHEMBL28478378 0.78 GAA (1.00) MAPTGAAKMT2AMEN1KDM4E
SCHEMBL23657826 0.74 KMT2A (0.76) MAPTGAAKMT2AMEN1KDM4E
SCHEMBL29793950 0.73 KMT2A (0.72) MAPTGAAKMT2AMEN1KDM4E

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
CN-111909082-B Pyridine hydrazone derivatives, and preparation method and application thereof 湖南大学 2022-09-13 CN disclosed