SCHEMBL11116943

SCHEMBL11116943

COC(C(COC(C)=O)OC(C)=O)n1cc(F)c(=O)[nH]c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 5/20 0.39
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
GRIA1 P42261 1/20 0.38
GRIA2 P42262 1/20 0.38
GRIA3 P42263 1/20 0.38
GRIA4 P48058 1/20 0.38
GRIK5 Q16478 1/20 0.38
KMT2A Q03164 1/20 0.34
POLB P06746 2/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPK3 P27361 1/20 0.33
ASAH1 Q13510 1/20 0.33
SQOR Q9Y6N5 1/20 0.33
ABCB1 P08183 1/20 0.32

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
SCHEMBL11114119 0.75 SMN1; SMN2 (0.46) SMN1; SMN2TDP1LMNAKDM4ECYP1A2
SCHEMBL11113413 0.74 SMN1; SMN2 (0.47) SMN1; SMN2LMNAKDM4ECYP1A2GRIA1
SCHEMBL11190458 0.74 SMN1; SMN2 (0.47) SMN1; SMN2LMNAKDM4ECYP1A2GRIA1
SCHEMBL11251574 0.72 GRIA1 (0.52) SMN1; SMN2LMNAKDM4ECYP1A2GRIA1
SCHEMBL11097790 0.71 SMN1; SMN2 (0.67) SMN1; SMN2LMNAKDM4ECYP1A2GRIA1
SCHEMBL12969498 0.69 GRIA1 (0.38) TDP1KDM4ECYP1A2GRIA1GRIA2
SCHEMBL11398926 0.69 LMNA (0.57) SMN1; SMN2LMNAKDM4ECYP1A2GRIA1
SCHEMBL11300900 0.68 LMNA (0.51) SMN1; SMN2TDP1LMNAKDM4ECYP1A2
SCHEMBL10934487 0.68 MET (0.42) SMN1; SMN2LMNAKDM4ECYP1A2GRIA1
SCHEMBL15691459 0.68 DUT (0.38) TDP1LMNAPOLBMAPK1ABCB1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0049144-A1 5-Fluoro uracil derivatives BEECHAM GROUP PLC (GB) 1982-04-07 EP claimed
EP-0049144-B1 5-FLUORO URACIL DERIVATIVES BEECHAM GROUP PLC (GB) 1984-08-29 EP disclosed
EP-0049144-A1 5-Fluoro uracil derivatives BEECHAM GROUP PLC (GB) 1982-04-07 EP disclosed