SCHEMBL3223630

SCHEMBL3223630

O=c1[nH]c2cc(CCCl)c(CCCl)cc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 3/20 0.41
GRIN3B O60391 3/20 0.41
GRIN1 Q05586 3/20 0.41
GRIN2A Q12879 3/20 0.41
GRIN2B Q13224 3/20 0.41
GRIN2C Q14957 3/20 0.41
GRIN3A Q8TCU5 3/20 0.41
PDE3B Q13370 3/20 0.41
PDE3A Q14432 3/20 0.41
GRIA1 P42261 7/20 0.40
GRIA2 P42262 2/20 0.40
GRIA3 P42263 2/20 0.40
GRIA4 P48058 2/20 0.40
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39
RAB9A P51151 1/20 0.39
PAX8 Q06710 1/20 0.39

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
SCHEMBL6904352 0.77 GRIN2D (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6910223 0.75 GAA (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11100579 0.74 GRIA1 (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7034886 0.70 KDM4E (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL640124 0.67 GRIA1 (0.70) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1272345 0.67 GPR84 (0.56) SMN1; SMN2ALDH1A1RAB9ATSHRHSD17B10
SCHEMBL7028562 0.66 CA12 (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7027027 0.66 PARP1 (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7074433 0.65 LMNA (0.43) MAPTSMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL3818109 0.65 GAA (0.63) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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
WO-2010015037-A1 THERAPEUTIC METHODS AND COMPOSITIONS HOWARD FLOREY INSTITUTE (AU) 2010-02-11 WO disclosed