SCHEMBL28045549

SCHEMBL28045549

CCCCC/C=N/N(C)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.41
MEN1 O00255 8/20 0.39
KMT2A Q03164 8/20 0.39
MAPT P10636 8/20 0.39
NPC1 O15118 5/20 0.39
RAB9A P51151 5/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
TDP1 Q9NUW8 3/20 0.39
ALDH1A1 P00352 3/20 0.39
ALOX12 P18054 2/20 0.39
POLB P06746 2/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
JAK2 O60674 1/20 0.36
PAX8 Q06710 1/20 0.36
LMNA P02545 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
TNNI3 P19429 1/20 0.35

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
SCHEMBL28045397 0.98 GAA (0.40) GAAMEN1KMT2AMAPTNPC1
SCHEMBL28045393 0.87 MEN1 (0.41) GAAMEN1KMT2AMAPTNPC1
SCHEMBL22473611 0.80 MEN1 (0.44) GAAMEN1KMT2AMAPTNPC1
SCHEMBL8525598 0.77 TAAR1 (0.42) GAAMEN1KMT2AMAPTNPC1
SCHEMBL8525600 0.77 TAAR1 (0.42) GAAMEN1KMT2AMAPTNPC1
Methanesulfonamide SCHEMBL4347821 0.76 MAPT (0.36) GAAMEN1KMT2AMAPTNPC1
Methanesulfonamide SCHEMBL4347826 0.76 MAPT (0.36) GAAMEN1KMT2AMAPTNPC1
SCHEMBL8497030 0.73 GAA (0.47) GAAMEN1KMT2AMAPTNPC1
SCHEMBL13669995 0.71 MEN1 (0.41) GAAMEN1KMT2AMAPTNPC1
Hexane SCHEMBL10522678 0.71 ALDH1A1 (0.48) GAAMEN1KMT2AMAPTNPC1

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