SCHEMBL3391445

SCHEMBL3391445

CSCCC(N)C(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
BCL9 O00512 1/20 0.48
CTNNB1 P35222 1/20 0.48
HTR2A P28223 1/20 0.45
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PKM P14618 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPT P10636 2/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
MGLL Q99685 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ACHE P22303 1/20 0.42
SLC6A4 P31645 1/20 0.42
HGFAC Q04756 1/20 0.42

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
SCHEMBL3391449 1.00 GAA (0.50) GAABCL9CTNNB1HTR2AALDH1A1
SCHEMBL8602153 0.83 HTR2A (0.47) HTR2AALDH1A1MAPTL3MBTL1
SCHEMBL8602149 0.83 HTR2A (0.47) HTR2AALDH1A1MAPTL3MBTL1
Hydrochloric Acid SCHEMBL8603825 0.82 IDO1 (0.48) HTR2AALDH1A1MAPTL3MBTL1
Hydrochloric Acid SCHEMBL8600189 0.82 IDO1 (0.48) HTR2AALDH1A1MAPTL3MBTL1
SCHEMBL12229225 0.82 LMNA (0.43) GAAALDH1A1KMT2A
SCHEMBL12229268 0.82 LMNA (0.43) GAAALDH1A1KMT2A
SCHEMBL7787944 0.82 BCL9 (0.57) GAABCL9CTNNB1HTR2AALDH1A1
SCHEMBL9840744 0.81 BCL9 (0.50) GAABCL9CTNNB1HTR2AALDH1A1
SCHEMBL7275811 0.81 BCL9 (0.50) GAABCL9CTNNB1HTR2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1635878-B1 PEPTIDE CONJUGATE FOR MAGNETIC RESONANCE IMAGING OF MATRIX METALLOPROTEINASES GUERBET SA (FR) 2010-12-29 EP disclosed
CN-101868180-A imaging particles UNIV ST LOUIS 2010-10-20 CN disclosed
EP-1684724-A4 ENHANCED DRUG DELIVERY BARNES JEWISH HOSPITAL (US) 2008-04-02 EP disclosed
EP-1572639-A4 INTEGRIN TARGETED IMAGING AGENTS BARNES JEWISH HOSPITAL (US) 2006-08-09 EP disclosed
EP-1684724-A2 ENHANCED DRUG DELIVERY Barnes-Jewish Hospital (US) 2006-08-02 EP disclosed
EP-1635878-A2 PEPTIDE CONJUGATE FOR MAGNETIC RESONANCE IMAGING GUERBET (FR) 2006-03-22 EP disclosed
EP-1572639-A1 INTEGRIN TARGETED IMAGING AGENTS Barnes Jewish Hospital (US) 2005-09-14 EP disclosed
WO-2005051305-A2 ENHANCED DRUG DELIVERY BARNES-JEWISH HOSPITAL (US) 2005-06-09 WO disclosed
WO-2004112840-A2 PEPTIDE CONJUGATE FOR MAGNETIC RESONANCE IMAGING GUERBET (FR) 2004-12-29 WO disclosed
WO-2003062198-A1 INTEGRIN TARGETED IMAGING AGENTS BARNES JEWISH HOSPITAL (US) 2003-07-31 WO disclosed