Sugi Predict

Sugi Predict / Compounds / SCHEMBL4030485

SCHEMBL4030485

SCHEMBL4030485

COc1cc(Cl)c(C)cc1C(=O)CN1C(=O)C(c2ccc(Cl)cc2)=NC12CCCCC2.N#Cc1ccc(C2=NC3(CCCC3)N(CC(=O)c3ccc(Cl)c(Br)c3)C2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 11/20 0.47
▸ TP53 P04637 4/20 0.42
▸ LMNA P02545 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ GAA P10253 2/20 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
SCHEMBL3572280 0.86 MAPT (0.59) MAPTTP53LMNAALDH1A1HPGD
SCHEMBL3564094 0.86 MAPT (0.45) MAPTTP53LMNAALDH1A1HPGD
SCHEMBL3571002 0.83 MAPT (0.48) MAPTTP53LMNAALDH1A1HPGD
SCHEMBL3569533 0.83 MAPT (0.57) MAPTTP53LMNAALDH1A1HPGD
SCHEMBL3573250 0.82 MAPT (0.47) MAPTTP53LMNAALDH1A1HPGD
SCHEMBL3579323 0.82 MAPT (0.54) MAPTTP53LMNAALDH1A1HPGD
SCHEMBL3567679 0.80 MAPT (0.61) MAPTTP53LMNAALDH1A1HPGD
SCHEMBL3571305 0.80 MAPT (0.53) MAPTTP53LMNAALDH1A1HPGD
SCHEMBL3563942 0.79 MAPT (0.57) MAPTTP53LMNAALDH1A1HPGD
SCHEMBL3568071 0.79 MAPT (0.47) MAPTTP53LMNAALDH1A1HPGD

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-2027098-A1 1-(2-ARYL-2-OXOETHYL)-3-PHENYL-1, 4-DIAZASPIRO (4.5)DEC-3-EN-2-ONE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORTER INHIBITORS Glaxo Group Limited (GB) 2009-02-25 — — EP disclosed
WO-2007116061-A1 1-(2-ARYL-2-OXOETHYL)-3-PHENYL-1, 4-DIAZASPIRO [4.5]DEC-3-EN-2-ONE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORTER INHIBITORS GLAXO GROUP LIMITED (GB) 2007-10-18 — — WO disclosed