SCHEMBL8204476

SCHEMBL8204476

CC(C)OC(=O)C(Br)C(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.46
CD274 Q9NZQ7 1/20 0.46
ALDH1A1 P00352 3/20 0.45
CYP3A4 P08684 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 3/20 0.44
NPC1 O15118 2/20 0.44
HTT P42858 2/20 0.44
RAB9A P51151 2/20 0.44
TSHR P16473 2/20 0.43
TDP1 Q9NUW8 3/20 0.42
KDM4E B2RXH2 1/20 0.42
PGR P06401 1/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
HTR2A P28223 1/20 0.42
HRH1 P35367 1/20 0.42
KCNH2 Q12809 1/20 0.42
MAPT P10636 2/20 0.42
MDM2 Q00987 1/20 0.42

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
SCHEMBL29193466 0.81 PDCD1 (0.49) PDCD1CD274ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL396482 0.79 MEN1 (0.56) ALDH1A1SMN1; SMN2LMNANPC1HTT
SCHEMBL330776 0.78 TDP1 (0.56) ALDH1A1CYP3A4SMN1; SMN2LMNANPC1
SCHEMBL5562608 0.77 AAK1 (0.46) ALDH1A1CYP3A4LMNATSHRTDP1
SCHEMBL9293636 0.77 ALDH1A1 (0.47) PDCD1CD274ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL8204480 0.76 LMNA (0.59) ALDH1A1CYP3A4SMN1; SMN2LMNANPC1
SCHEMBL330589 0.75 L3MBTL1 (0.48) ALDH1A1CYP3A4LMNANPC1HTT
SCHEMBL6181797 0.74 TDP1 (0.52) ALDH1A1CYP3A4SMN1; SMN2LMNANPC1
SCHEMBL19695429 0.74 TDP1 (0.52) ALDH1A1CYP3A4SMN1; SMN2LMNANPC1
SCHEMBL187606 0.74 TDP1 (0.52) ALDH1A1CYP3A4SMN1; SMN2LMNANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1000040-A1 IL-5 INHIBITING 6-AZAURACIL DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2000-05-17 EP disclosed
WO-1999002505-A1 IL-5 INHIBITING 6-AZAURACIL DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1999-01-21 WO disclosed