SCHEMBL12294705

SCHEMBL12294705

NC(=O)CCN/C(=N\C(=O)OCc1ccccc1)NC(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.49
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PLAU P00749 1/20 0.46
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KEAP1 Q14145 2/20 0.43
NFE2L2 Q16236 2/20 0.43
MAPT P10636 2/20 0.43
TP53 P04637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CPB1 P15086 1/20 0.42
GAA P10253 1/20 0.42
SLC1A3 P43003 1/20 0.42
SLC1A1 P43005 1/20 0.42
TSHR P16473 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
SCHEMBL8039590 0.91 HTT (0.52) HTTLMNASMN1; SMN2PLAUKEAP1
SCHEMBL7355388 0.91 HTT (0.57) HTTLMNASMN1; SMN2CA12CA1
SCHEMBL13622435 0.88 LMNA (0.49) HTTLMNASMN1; SMN2PLAUCA12
SCHEMBL12295603 0.88 PLAU (0.47) HTTLMNASMN1; SMN2PLAUCA12
SCHEMBL989685 0.87 TGM2 (0.55) HTTLMNASMN1; SMN2KMT2AKEAP1
SCHEMBL5097623 0.86 LMNA (0.50) HTTLMNASMN1; SMN2CA12CA1
SCHEMBL7359305 0.86 HTT (0.69) HTTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL7358569 0.86 LMNA (0.49) HTTLMNASMN1; SMN2PLAUCA12
SCHEMBL14598314 0.85 HTT (0.64) HTTLMNASMN1; SMN2KEAP1NFE2L2
SCHEMBL13622431 0.85 HTT (0.50) HTTLMNASMN1; SMN2CA12CA1

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-2011104649-A1 PEPTIDE ANALOGUES PFIZER LIMITED (GB) 2011-09-01 WO disclosed