SCHEMBL3952102

SCHEMBL3952102

F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.O=C(NCCOc1ccccc1OCCNC(=O)OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
L3MBTL1 Q9Y468 2/20 0.62
MAPT P10636 1/20 0.61
HTT P42858 1/20 0.56
TGM2 P21980 1/20 0.50
KEAP1 Q14145 2/20 0.49
NFE2L2 Q16236 2/20 0.49
KDM4E B2RXH2 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
SLC1A3 P43003 1/20 0.47
SLC1A1 P43005 1/20 0.47
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
HTR1A P08908 1/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
ALDH1A1 P00352 1/20 0.46
MEN1 O00255 1/20 0.46

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
SCHEMBL29777983 0.88 LMNA (0.65) LMNASMN1; SMN2L3MBTL1MAPTHTT
SCHEMBL3952100 0.86 L3MBTL1 (0.63) LMNASMN1; SMN2L3MBTL1MAPTHTT
SCHEMBL30829589 0.85 LMNA (0.65) LMNASMN1; SMN2L3MBTL1MAPTHTT
SCHEMBL24627828 0.84 L3MBTL1 (0.62) LMNASMN1; SMN2L3MBTL1MAPTHTT
SCHEMBL30829559 0.84 LMNA (0.63) LMNASMN1; SMN2L3MBTL1MAPTHTT
SCHEMBL30829554 0.83 LMNA (0.62) LMNASMN1; SMN2L3MBTL1MAPTHTT
SCHEMBL3811564 0.82 L3MBTL1 (0.80) LMNASMN1; SMN2L3MBTL1MAPTHTT
SCHEMBL24627820 0.82 L3MBTL1 (0.58) LMNASMN1; SMN2L3MBTL1MAPTHTT
SCHEMBL28693300 0.81 LMNA (0.63) LMNASMN1; SMN2L3MBTL1MAPTHTT
SCHEMBL7372302 0.81 SMN1; SMN2 (1.00) LMNASMN1; SMN2L3MBTL1MAPTHTT

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-2009027679-A1 PROCESS FOR THE PREPARATION OF GUANIDINO SUBSTITUTED BI-AND POLYPHENYLS THAT ARE SUITABLE AS SMALL MOLECULE CARRIERS UCL BUSINESS PLC (GB) 2009-03-05 WO disclosed