SCHEMBL5314068

SCHEMBL5314068

O=C(O)NC(=O)CCNC(=O)OCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.64
LMNA P02545 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
L3MBTL1 Q9Y468 3/20 0.56
TGM2 P21980 1/20 0.53
GAA P10253 1/20 0.53
KEAP1 Q14145 2/20 0.52
NFE2L2 Q16236 2/20 0.52
MAPT P10636 1/20 0.51
SLC1A3 P43003 1/20 0.50
SLC1A1 P43005 1/20 0.50
PRSS1 P07477 1/20 0.49
TPSAB1 Q15661 1/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49

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
SCHEMBL17079191 0.85 HTT (0.64) HTTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL7514786 0.85 HTT (0.73) HTTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL6431191 0.85 HTT (0.64) HTTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL127662 0.84 HTT (0.82) HTTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL4173649 0.84 HTT (0.62) HTTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL6648982 0.84 HTT (0.62) HTTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL7511539 0.84 HTT (0.67) HTTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL13055383 0.84 LMNA (0.80) HTTLMNASMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL7400993 0.83 HTT (0.79) HTTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL10950730 0.82 HTT (0.61) HTTLMNASMN1; SMN2MEN1KMT2A

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-2007035964-A2 VIGABATRIN BIOISOTERES AND RELATED METHODS OF USE NORTHWESTERN UNIVERSITY (US) 2007-03-29 WO disclosed