SCHEMBL4034701

SCHEMBL4034701

O=C(NCC(O)c1ccccc1)C1CN(S(=O)(=O)c2ccc(-c3ccccc3)cc2)CCN1S(=O)(=O)c1ccc2ncccc2c1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
GAA P10253 1/20 0.48
USP2 O75604 2/20 0.45
CHRM5 P08912 1/20 0.44

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
SCHEMBL4038268 0.89 ALDH1A1 (0.40) ALDH1A1GAAUSP2CHRM5
SCHEMBL4033586 0.88 ALDH1A1 (0.55) ALDH1A1GAAUSP2
SCHEMBL4036877 0.87 ALDH1A1 (0.52) ALDH1A1GAAUSP2CHRM5
SCHEMBL4034695 0.86 GAA (0.51) ALDH1A1GAA
SCHEMBL4036675 0.86 ALDH1A1 (0.51) ALDH1A1GAAUSP2CHRM5
SCHEMBL4035740 0.85 ALDH1A1 (0.51) ALDH1A1GAAUSP2
SCHEMBL4039378 0.84 MMP1 (0.52) ALDH1A1GAAUSP2
SCHEMBL4035627 0.83 ALDH1A1 (0.48) ALDH1A1GAAUSP2
SCHEMBL4035716 0.81 ALDH1A1 (0.46) ALDH1A1GAAUSP2
SCHEMBL4032675 0.80 GAA (0.48) ALDH1A1GAACHRM5

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-1592389-B1 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES SERONO LAB (CH) 2009-04-22 EP claimed