SCHEMBL5289525

SCHEMBL5289525

Cc1nc([N+](=O)[O-])c(CC(N)C(=O)O)[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRA P18433 1/20 0.37
MAPT P10636 3/20 0.37
GRIA1 P42261 7/20 0.36
GRIA2 P42262 6/20 0.36
GRIA4 P48058 6/20 0.36
GRIK5 Q16478 3/20 0.36
GRIA3 P42263 6/20 0.36
GRIK1 P39086 2/20 0.36
CYP2C19 P33261 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
GRIK2 Q13002 1/20 0.36
GRIK3 Q13003 1/20 0.36
GRIK4 Q16099 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL7389429 0.79 GRIA1 (0.39) PTPRAMAPTGRIA1GRIA2GRIA4
SCHEMBL7454145 0.75 SLC7A5 (0.45) PTPRAGRIA1GRIA2GRIA4GRIK5
SCHEMBL4575373 0.74 MAPT (0.37) MAPTCYP2C19ALDH1A1CYP1A2CYP2D6
SCHEMBL10420573 0.70 MAPT (0.35) MAPTALDH1A1KMT2A
SCHEMBL16324473 0.68 L3MBTL1 (0.35) MAPTALDH1A1
SCHEMBL9912464 0.68 PTPRA (0.48) PTPRAMAPTGRIA1GRIA2GRIA4
SCHEMBL13957603 0.66 GRIA1 (0.46) MAPTGRIA1GRIA2GRIA4GRIK5
SCHEMBL5289522 0.66 CYP2C19 (0.49) MAPTGRIA1GRIA2GRIA4GRIA3
SCHEMBL3194686 0.66 SLC7A5 (0.49) PTPRAGRIA1GRIA2GRIA4GRIK5
SCHEMBL3194682 0.66 PTPRA (0.46) PTPRAMAPTGRIA1GRIA2GRIA4

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007002469-A2 THERAPEUTIC COMPOSITIONS AND METHODS USING TRANSFORMING GROWTH FACTOR-BETA MIMICS BHATNAGAR RAJENDRA S (US) 2007-01-04 WO disclosed
EP-1261611-A2 INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE Bristol-Myers Squibb Pharma Company (US) 2002-12-04 EP disclosed
EP-1252178-A1 ALPHA-KETOAMIDE INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE Bristol-Myers Squibb Pharma Company (US) 2002-10-30 EP disclosed
EP-1196436-A2 PEPTIDE BORONIC ACID INHIBITORS OF HEPATITIS C VIRUS PROTEASE Bristol-Myers Squibb Pharma Company (US) 2002-04-17 EP disclosed
WO-2001064678-A2 INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-09-07 WO disclosed
WO-2001040262-A1 ALPHA-KETOAMIDE INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-06-07 WO disclosed
WO-2001002424-A2 PEPTIDE BORONIC ACID INHIBITORS OF HEPATITIS C VIRUS PROTEASE DU PONT PHARMACEUTICALS COMPANY (US) 2001-01-11 WO disclosed