SCHEMBL7425430

SCHEMBL7425430

CC(=O)NOC(=O)C(Cc1ccccc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAOB P27338 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KDM4A O75164 1/20 0.43
POLB P06746 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL3096665 0.81 ALDH1A1 (0.55) MEN1KMT2AALDH1A1
SCHEMBL31207339 0.80 ALDH1A1 (0.57) MEN1KMT2AMAOBALDH1A1POLB
SCHEMBL6692120 0.78 ALDH1A1 (0.56) MEN1KMT2AMAOBALDH1A1POLB
SCHEMBL2672326 0.78 MEN1 (0.47) MEN1KMT2APOLBCYP2C19
Acetamide SCHEMBL4985827 0.77 L3MBTL1 (0.52) MEN1KMT2AMAOBALDH1A1POLB
SCHEMBL7420624 0.76 KDM4A (0.54) MEN1KMT2AMAOBALDH1A1KDM4A
SCHEMBL6773482 0.76 KDM4A (0.54) MEN1KMT2AMAOBALDH1A1KDM4A
SCHEMBL30619954 0.76 L3MBTL1 (0.56) MEN1KMT2AMAOBALDH1A1POLB
SCHEMBL1572954 0.76 L3MBTL1 (0.56) MEN1KMT2AMAOBALDH1A1POLB
SCHEMBL960746 0.75 L3MBTL1 (0.53) MEN1KMT2AMAOBALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0968198-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR INHIBITING $g(b)-AMYLOID PEPTIDE Elan Pharmaceuticals, Inc. (US) 2000-01-05 EP disclosed
EP-0951466-A2 CYCLOALKYL, LACTAM, LACTONE AND RELATED COMPOUNDS, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS Elan Pharmaceuticals, Inc. (US) 1999-10-27 EP disclosed
WO-1998038177-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR INHIBITING β-AMYLOID PEPTIDE ELAN PHARMACEUTICALS, INC. (US) 1998-09-03 WO disclosed
WO-1998028268-A2 CYCLOALKYL, LACTAM, LACTONE AND RELATED COMPOUNDS AS β-AMYLOID PEPTIDE RELEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 1998-07-02 WO disclosed