SCHEMBL13726532

SCHEMBL13726532

CCCCC/N=C(C)\C(C)=N/O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NAAA Q02083 1/20 0.38
LMNA P02545 3/20 0.35
SIGMAR1 Q99720 3/20 0.35
NOS1 P29475 1/20 0.33
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
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
TSHR P16473 3/20 0.32
THRB P10828 2/20 0.32
SLC2A1 P11166 2/20 0.31

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
SCHEMBL13726535 1.00 MEN1 (0.48) MEN1KMT2ANAAALMNASIGMAR1
SCHEMBL12744494 0.90 MEN1 (0.56) MEN1KMT2ANAAALMNASIGMAR1
SCHEMBL10601401 0.85 NPSR1 (0.36) MEN1KMT2ATSHRTHRBALDH1A1
SCHEMBL6883913 0.82 NPSR1 (0.35) MEN1KMT2ATSHRTHRBALDH1A1
SCHEMBL6883918 0.82 NPSR1 (0.35) MEN1KMT2ATSHRTHRBALDH1A1
SCHEMBL30102464 0.82 LMNA (0.48) MEN1KMT2ANAAALMNASIGMAR1
SCHEMBL3085373 0.79 NPSR1 (0.40) MEN1KMT2ATSHRTHRBALDH1A1
SCHEMBL16297578 0.75
SCHEMBL16594103 0.74 MEN1 (0.46) MEN1KMT2APRSS1PRSS2PRSS3
SCHEMBL16594107 0.74 MEN1 (0.46) MEN1KMT2APRSS1PRSS2PRSS3

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
WO-2012149639-A1 NOVEL LATE TRANSITION METAL CATALYSTS FOR SELECTIVE POLYMER FORMATION RYERSON UNIVERSITY (CA) 2012-11-08 WO disclosed