SCHEMBL20125232

SCHEMBL20125232

CCCN/C(N)=N/C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
TDP1 Q9NUW8 1/20 0.34
CTSK P43235 4/20 0.34
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33

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
SCHEMBL26769418 1.00 MAOA (0.36) MAOAMAOBKDM4CTDP1CTSK
SCHEMBL6373802 0.85 MAOA (0.36) MAOAMAOBTDP1KMT2AMEN1
SCHEMBL8446924 0.83 MAOA (0.41) MAOAMAOBTDP1KMT2AMEN1
SCHEMBL6373320 0.81 MAOA (0.34) MAOAMAOBTDP1KMT2AMEN1
SCHEMBL13074363 0.80 MAOA (0.41) MAOAMAOBTDP1CTSKKMT2A
SCHEMBL26464845 0.79 DGAT1 (0.33) MAOAMAOBTDP1CTSK
SCHEMBL12074271 0.79 KDM4C (0.36) MAOAMAOBKDM4CTDP1CTSK
SCHEMBL13074364 0.79 MEN1 (0.40) MAOAMAOBKDM4CCTSKKMT2A
SCHEMBL3808762 0.78 CRBN (0.34) MAOAMAOBCTSK
SCHEMBL3808765 0.78 CRBN (0.34) MAOAMAOBCTSK

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
EP-2706062-B1 NOVEL CEPHALOSPORIN DERIVATIVE AND PHARMACEUTICAL COMPOSITION THEREOF LEGOCHEM BIOSCIENCES INC (KR) 2018-05-09 EP disclosed