SCHEMBL8766563

SCHEMBL8766563

CC(Br)CCCCOc1ccccc1O

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.56
LMNA P02545 2/20 0.56
JAK2 O60674 1/20 0.56
MAPT P10636 1/20 0.56
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
APP P05067 1/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37

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
SCHEMBL28624284 0.85 LMNA (0.58) GAALMNAJAK2MAPTDRD2
SCHEMBL9045649 0.82 GAA (0.82) GAALMNAJAK2MAPTDRD2
SCHEMBL27980769 0.81 GAA (0.53) GAALMNAJAK2MAPTDRD2
SCHEMBL8766561 0.80 L3MBTL1 (0.40) LMNAMAPTHTTALDH1A1SMN1; SMN2
SCHEMBL24011910 0.80 GAA (0.78) GAALMNAJAK2MAPTDRD2
SCHEMBL9123832 0.80 GAA (0.78) GAALMNAJAK2MAPTDRD2
SCHEMBL27980995 0.80 LMNA (0.51) GAALMNAJAK2MAPTDRD2
SCHEMBL27980651 0.80 LMNA (0.51) GAALMNAJAK2MAPTDRD2
SCHEMBL29016890 0.79 GAA (0.60) GAALMNAJAK2MAPTDRD2
SCHEMBL2839885 0.79 GAA (0.64) GAALMNAJAK2MAPTDRD2

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
EP-0778267-A1 SULFONAMIDE DERIVATIVES AND INSECTICIDE, MITICIDE AND NEMATICIDE CONTAINING THE SAME OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1997-06-11 EP disclosed