SCHEMBL5281834

SCHEMBL5281834

CC(=O)OCCCNc1cc(SC(C)=O)c2nonc2c1[N+](=O)[O-]

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 17/20 0.74
HTT P42858 8/20 0.74
AGTR1 P30556 3/20 0.74
NTSR1 P30989 2/20 0.74
ALDH1A1 P00352 12/20 0.73
HPGD P15428 10/20 0.73
MEN1 O00255 9/20 0.73
KMT2A Q03164 9/20 0.73
NPSR1 Q6W5P4 7/20 0.73
MITF O75030 3/20 0.73
BLM P54132 2/20 0.73
XBP1 P17861 1/20 0.73
LMNA P02545 7/20 0.69
POLB P06746 4/20 0.69
PKM P14618 5/20 0.69
L3MBTL1 Q9Y468 3/20 0.69
RECQL P46063 2/20 0.69
KDM4E B2RXH2 1/20 0.61
APEX1 P27695 1/20 0.61
TDP1 Q9NUW8 1/20 0.61

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
SCHEMBL5281823 0.89 MAPT (0.73) MAPTHTTAGTR1NTSR1ALDH1A1
SCHEMBL5283971 0.87 MAPT (0.89) MAPTHTTAGTR1NTSR1ALDH1A1
SCHEMBL6391137 0.87 MAPT (0.71) MAPTHTTAGTR1NTSR1ALDH1A1
SCHEMBL8156930 0.86 MAPT (0.71) MAPTHTTAGTR1NTSR1ALDH1A1
SCHEMBL5285308 0.84 MAPT (0.66) MAPTHTTAGTR1NTSR1ALDH1A1
SCHEMBL5288929 0.83 MAPT (0.78) MAPTHTTAGTR1NTSR1ALDH1A1
SCHEMBL5243197 0.82 MAPT (1.00) MAPTHTTAGTR1NTSR1ALDH1A1
SCHEMBL13436799 0.78 MAPT (0.70) MAPTHTTAGTR1NTSR1ALDH1A1
SCHEMBL14959208 0.78 MAPT (0.69) MAPTHTTAGTR1NTSR1ALDH1A1
SCHEMBL13436906 0.71 MAPT (0.59) MAPTHTTAGTR1NTSR1ALDH1A1

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-1758873-A1 UBIQUITIN LIGASE INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2007-03-07 EP claimed
WO-2006002284-A1 UBIQUITIN LIGASE INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2006-01-05 WO claimed