SCHEMBL8204480

SCHEMBL8204480

CCCOC(=O)C(Br)C(=O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.59
ALDH1A1 P00352 4/20 0.47
PGR P06401 1/20 0.44
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
HTR2A P28223 1/20 0.44
HRH1 P35367 1/20 0.44
KCNH2 Q12809 1/20 0.44
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP1A2 P05177 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
NPC1 O15118 1/20 0.41
CHRM1 P11229 4/20 0.41
TDP1 Q9NUW8 3/20 0.41
SLC6A2 P23975 2/20 0.41
ESR1 P03372 1/20 0.41

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
SCHEMBL27433996 0.90 TSHR (0.50) LMNAALDH1A1SMN1; SMN2CYP2D6CYP1A2
Biphenyl SCHEMBL27525345 0.86 TSHR (0.46) LMNAALDH1A1SMN1; SMN2CYP2D6CYP1A2
SCHEMBL396482 0.86 MEN1 (0.56) LMNAALDH1A1PGRADRA2AADRA2B
SCHEMBL8172221 0.80 LMNA (0.59) LMNAALDH1A1PGRADRA2AADRA2B
SCHEMBL5696500 0.78 LMNA (0.51) LMNAALDH1A1PGRADRA2AADRA2B
SCHEMBL23792374 0.77 SLC6A4 (0.47) ALDH1A1NPC1CHRM1TDP1SLC6A2
SCHEMBL2419442 0.76 LMNA (0.53) LMNAALDH1A1SMN1; SMN2CYP2D6CYP1A2
SCHEMBL8204476 0.76 PDCD1 (0.46) LMNAALDH1A1PGRADRA2AADRA2B
SCHEMBL11509599 0.75 HCAR2 (0.41) LMNAALDH1A1SMN1; SMN2CHRM1TDP1
SCHEMBL330776 0.75 TDP1 (0.56) LMNAALDH1A1PGRADRA2AADRA2B

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