SCHEMBL11114119

SCHEMBL11114119

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 4/20 0.41
CYP1A2 P05177 4/20 0.40
KDM4E B2RXH2 1/20 0.40
GRIA1 P42261 1/20 0.40
GRIA2 P42262 1/20 0.40
GRIA3 P42263 1/20 0.40
GRIA4 P48058 1/20 0.40
GRIK5 Q16478 1/20 0.40
CYP2C19 P33261 4/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPK3 P27361 1/20 0.37
ASAH1 Q13510 1/20 0.37
SQOR Q9Y6N5 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 3/20 0.36
HTT P42858 1/20 0.35
MAPT P10636 2/20 0.35
CYP2C9 P11712 2/20 0.35

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
SCHEMBL11113253 0.83 SMN1; SMN2 (0.48) SMN1; SMN2LMNACYP1A2KDM4EGRIA1
SCHEMBL11097790 0.79 SMN1; SMN2 (0.67) SMN1; SMN2LMNACYP1A2KDM4EGRIA1
SCHEMBL11190458 0.76 SMN1; SMN2 (0.47) SMN1; SMN2LMNACYP1A2KDM4EGRIA1
SCHEMBL11116943 0.75 SMN1; SMN2 (0.41) SMN1; SMN2LMNACYP1A2KDM4EGRIA1
SCHEMBL12968524 0.74 GRIA1 (0.40) GRIA1GRIA2GRIA4GRIK5CYP2C19
SCHEMBL12968460 0.74 CYP2C19 (0.36) SMN1; SMN2CYP1A2CYP2C19ALDH1A1KMT2A
SCHEMBL11105112 0.73 SMN1; SMN2 (0.45) SMN1; SMN2LMNACYP1A2KDM4EGRIA1
SCHEMBL25492601 0.72 SMN1; SMN2 (0.45) SMN1; SMN2LMNACYP1A2KDM4EGRIA1
SCHEMBL11099078 0.71 LMNA (0.51) SMN1; SMN2LMNACYP1A2KDM4EGRIA1
SCHEMBL11398926 0.71 LMNA (0.57) SMN1; SMN2LMNACYP1A2KDM4EGRIA1

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