SCHEMBL28900952

SCHEMBL28900952

Cc1cc(C=NNc2ccc(C(F)(F)F)cn2)cc(C)c1O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.73
MAPT P10636 8/20 0.73
GAA P10253 8/20 0.73
MEN1 O00255 7/20 0.69
RAB9A P51151 6/20 0.69
NPC1 O15118 4/20 0.69
SMN1; SMN2 Q16637 4/20 0.69
CDK5 Q00535 4/20 0.69
CDK5R1 Q15078 4/20 0.69
GFER P55789 2/20 0.69
ALDH1A1 P00352 3/20 0.68
KDM4E B2RXH2 4/20 0.64
POLB P06746 3/20 0.60
HTT P42858 2/20 0.60
AGTR1 P30556 1/20 0.59
TDP1 Q9NUW8 2/20 0.59
LMNA P02545 3/20 0.47
HPGD P15428 3/20 0.47
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44

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
SCHEMBL29793935 1.00 KMT2A (0.73) KMT2AMAPTGAAMEN1RAB9A
SCHEMBL28473939 0.84 MAPT (1.00) KMT2AMAPTGAAMEN1RAB9A
SCHEMBL29794040 0.84 MAPT (1.00) KMT2AMAPTGAAMEN1RAB9A
SCHEMBL28863297 0.82 KMT2A (1.00) KMT2AMAPTGAAMEN1RAB9A
SCHEMBL28478378 0.81 GAA (1.00) KMT2AMAPTGAAMEN1RAB9A
SCHEMBL28484863 0.80 KMT2A (0.73) KMT2AMAPTGAAMEN1RAB9A
SCHEMBL28475909 0.78 MAPT (0.84) KMT2AMAPTGAAMEN1RAB9A
SCHEMBL23657826 0.76 KMT2A (0.76) KMT2AMAPTGAAMEN1RAB9A
SCHEMBL28479937 0.76 KMT2A (0.72) KMT2AMAPTGAAMEN1RAB9A
SCHEMBL28474330 0.76 KMT2A (0.70) KMT2AMAPTGAAMEN1RAB9A

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 2 patents. 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
CN-111909082-A Pyridine hydrazone derivatives, and preparation method and application thereof 湖南大学 2020-11-10 CN disclosed