SCHEMBL4035627

SCHEMBL4035627

CC(CNC(=O)C1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCN1S(=O)(=O)c1ccc2ncccc2c1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
GAA P10253 1/20 0.47
USP2 O75604 2/20 0.46
POLB P06746 1/20 0.45
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL4033586 0.93 ALDH1A1 (0.55) ALDH1A1GAAUSP2POLBLMNA
SCHEMBL4036877 0.93 ALDH1A1 (0.52) ALDH1A1GAAUSP2POLBLMNA
SCHEMBL4035740 0.91 ALDH1A1 (0.51) ALDH1A1GAAUSP2POLBLMNA
SCHEMBL4039378 0.89 MMP1 (0.52) ALDH1A1GAAUSP2POLBLMNA
SCHEMBL4034975 0.87 GAA (0.52) ALDH1A1GAAUSP2POLBHTT
SCHEMBL4035716 0.87 ALDH1A1 (0.46) ALDH1A1GAAUSP2POLBLMNA
SCHEMBL4042256 0.85 POLB (0.46) ALDH1A1GAAUSP2POLBLMNA
SCHEMBL4034701 0.83 ALDH1A1 (0.49) ALDH1A1GAAUSP2
SCHEMBL4033581 0.79 GAA (0.57) ALDH1A1GAAUSP2POLBHTT
SCHEMBL4034722 0.79 F10 (0.46) POLBLMNA

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