SCHEMBL6253000

SCHEMBL6253000

O=C(NCC[CH]c1ccccc1)OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
HTT P42858 1/20 0.60
TGM2 P21980 1/20 0.57
L3MBTL1 Q9Y468 2/20 0.52
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
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
MIF P14174 1/20 0.48
KAT2B Q92831 1/20 0.47
GAA P10253 1/20 0.47
IDO1 P14902 1/20 0.47
TDO2 P48775 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47

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
SCHEMBL736590 0.84 LMNA (0.67) LMNASMN1; SMN2HTTTGM2L3MBTL1
SCHEMBL5002848 0.84 LMNA (0.67) LMNASMN1; SMN2HTTTGM2L3MBTL1
SCHEMBL8530400 0.84 LMNA (0.58) LMNASMN1; SMN2HTTTGM2L3MBTL1
SCHEMBL13055383 0.84 LMNA (0.80) LMNASMN1; SMN2HTTTGM2L3MBTL1
SCHEMBL11835986 0.83 RAB9A (0.52) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL485753 0.83 TGM2 (0.66) LMNASMN1; SMN2HTTTGM2L3MBTL1
SCHEMBL26665217 0.81 LMNA (0.58) LMNASMN1; SMN2HTTTGM2L3MBTL1
SCHEMBL2559670 0.81 LMNA (0.55) LMNASMN1; SMN2HTTTGM2L3MBTL1
SCHEMBL16553601 0.81 HTT (0.62) LMNASMN1; SMN2HTTTGM2L3MBTL1
SCHEMBL9115718 0.81 LMNA (0.61) LMNASMN1; SMN2HTTTGM2L3MBTL1

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-2005048715-A2 ORGANOPHOSPHORIC COMPOUNDS AND USE THEREOF BIOAGENCY AG (DE) 2005-06-02 WO disclosed