SCHEMBL29793950

SCHEMBL29793950

Oc1ccc(C=NNc2ccc(C(F)(F)F)cn2)c(O)c1O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.72
MEN1 O00255 9/20 0.72
POLB P06746 5/20 0.72
CDK5 Q00535 3/20 0.72
CDK5R1 Q15078 3/20 0.72
GAA P10253 8/20 0.66
MAPT P10636 6/20 0.66
SMN1; SMN2 Q16637 4/20 0.66
ALDH1A1 P00352 2/20 0.66
RAB9A P51151 6/20 0.63
NPC1 O15118 4/20 0.63
GFER P55789 2/20 0.63
KDM4E B2RXH2 3/20 0.58
HTT P42858 2/20 0.55
AGTR1 P30556 1/20 0.55
BLM P54132 1/20 0.54
CASP6 P55212 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42

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
SCHEMBL28479937 1.00 KMT2A (0.72) KMT2AMEN1POLBCDK5CDK5R1
SCHEMBL28478378 0.80 GAA (1.00) KMT2AMEN1POLBCDK5CDK5R1
SCHEMBL12786486 0.78 KMT2A (0.63) KMT2AMEN1POLBCDK5CDK5R1
SCHEMBL28863297 0.77 KMT2A (1.00) KMT2AMEN1POLBCDK5CDK5R1
SCHEMBL12786485 0.76 KMT2A (0.60) KMT2AMEN1POLBCDK5CDK5R1
SCHEMBL28900952 0.76 KMT2A (0.73) KMT2AMEN1POLBCDK5CDK5R1
SCHEMBL29793935 0.76 KMT2A (0.73) KMT2AMEN1POLBCDK5CDK5R1
SCHEMBL28484863 0.73 KMT2A (0.73) KMT2AMEN1POLBCDK5CDK5R1
SCHEMBL28473939 0.73 MAPT (1.00) KMT2AMEN1POLBCDK5CDK5R1
SCHEMBL29794040 0.73 MAPT (1.00) KMT2AMEN1POLBCDK5CDK5R1

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