SCHEMBL5689077

SCHEMBL5689077

CC(C)C(N)COc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.53
ALDH1A1 P00352 4/20 0.51
MAPT P10636 2/20 0.51
PTGS2 P35354 1/20 0.49
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
LMNA P02545 2/20 0.45
MAOB P27338 2/20 0.44
AOC3 Q16853 1/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL8605149 0.87 GAA (0.56) GAAALDH1A1MAPTPTGS2CA12
SCHEMBL17826734 0.86 GAA (0.52) GAAALDH1A1MAPTPTGS2CA12
SCHEMBL10643494 0.83 GAA (0.58) GAAALDH1A1MAPTPTGS2LMNA
SCHEMBL3045885 0.83 MAPT (0.68) GAAALDH1A1MAPTPTGS2LMNA
SCHEMBL19683417 0.81 GAA (0.53) GAAALDH1A1MAPTPTGS2CA12
SCHEMBL19683182 0.81 GAA (0.53) GAAALDH1A1MAPTPTGS2CA12
SCHEMBL27183219 0.80 GAA (0.56) GAAALDH1A1MAPTPTGS2LMNA
SCHEMBL12506339 0.80 GAA (0.57) GAAALDH1A1MAPTPTGS2CA12
SCHEMBL1496777 0.80 GAA (0.63) GAAALDH1A1MAPTPTGS2LMNA
SCHEMBL18458538 0.80 HTR2A (0.58) GAAALDH1A1MAPTSMN1; SMN2

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-1654238-A1 2-AMINOPYRIMIDINE AND 2-AMINOPYRIDINE-4-CARBAMATES FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES AMGEN INC. (US) 2006-05-10 EP disclosed
EP-1648464-A1 2-AMINO-4-HYDROXY-5-PYRIMIDINCARBOXAMID DERIVATIVES AND RELATED COMPOUNDS AS T-CELL ACTIVATION INHIBITORS FOR THE TREATMENT OF INFLAMMATIONS AMGEN INC. (US) 2006-04-26 EP disclosed
WO-2005009978-A1 2-AMINOPYRIMIDINE AND 2-AMINOPYRIDINE-4-CARBAMATES FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES AMGEN INC. (US) 2005-02-03 WO disclosed
WO-2005009443-A1 2-AMINO-4-HYDROXY-5-PYRIMIDINECARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF T CELL ACTIVATION FOR THE TREATMENT OF INFLAMMATORY DISEASES AMGEN INC. (US) 2005-02-03 WO disclosed