SCHEMBL28045555

SCHEMBL28045555

CN(/N=C/c1ccc(OC(F)(F)F)cc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 10/20 0.49
KMT2A Q03164 10/20 0.49
MAPT P10636 8/20 0.49
NPC1 O15118 6/20 0.49
RAB9A P51151 6/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
LMNA P02545 2/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
TDP1 Q9NUW8 4/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 1/20 0.47
ALOX12 P18054 2/20 0.46
MITF O75030 1/20 0.43
GAA P10253 1/20 0.43
BCHE P06276 2/20 0.43
ACHE P22303 2/20 0.43
BACE1 P56817 2/20 0.43
POLB P06746 1/20 0.41

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
SCHEMBL28045404 0.94 MAPT (0.44) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL8499198 0.81 MEN1 (0.62) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL170359 0.81 MEN1 (0.62) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL28045548 0.80 MAPT (0.50) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL8494526 0.79 MAPT (0.57) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL8494529 0.79 MAPT (0.57) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL8497609 0.78 MAPT (0.63) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL8497605 0.78 MAPT (0.63) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL28045460 0.78 MEN1 (0.54) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL8499004 0.77 MEN1 (0.57) MEN1KMT2AMAPTNPC1RAB9A

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-105272793-B Method for synthesizing aryl hydrazone 南京理工大学 2017-02-15 CN disclosed
CN-105272793-A Method for synthesizing aryl hydrazone UNIV NANJING SCIENCE & TECH 2016-01-27 CN disclosed