SCHEMBL11706106

SCHEMBL11706106

C/C=C/C(=O)NNC(=O)/C=C/C

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
TP53 P04637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PELI1 Q96FA3 2/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
HTT P42858 1/20 0.33
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
MTNR1A P48039 1/20 0.30
MTNR1B P49286 1/20 0.30

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
SCHEMBL11706114 1.00 ALDH1A1 (0.35) ALDH1A1TP53L3MBTL1PELI1KEAP1
SCHEMBL28199586 0.87 TSHR (0.46) ALDH1A1TP53L3MBTL1TSHR
SCHEMBL23057502 0.83
SCHEMBL4591815 0.80 ALDH1A1 (0.35) ALDH1A1TP53L3MBTL1KEAP1NFE2L2
SCHEMBL264926 0.78
SCHEMBL295221 0.78
SCHEMBL4559860 0.78
SCHEMBL104240 0.78
SCHEMBL2540688 0.78
SCHEMBL23900957 0.75 HDAC3 (0.30)

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
US-4052362-A N-CINNAMOYL-N'-ACYLHYDRAZINES UBE INDUSTRIES, LTD. (JA) 1977-10-04 US disclosed