SCHEMBL6951836

SCHEMBL6951836

CC(=O)Nc1cc(C(C)C(=O)O)ccn1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
PIK3C3 Q8NEB9 7/20 0.45
RIOK2 Q9BVS4 4/20 0.44
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
TYK2 P29597 1/20 0.44
CSNK1D P48730 1/20 0.44
MAPK14 Q16539 1/20 0.44
POLB P06746 1/20 0.43
AAK1 Q2M2I8 1/20 0.43
PIP5K1C O60331 1/20 0.43
PIK3CA P42336 1/20 0.43
NR3C2 P08235 1/20 0.42
GSK3A P49840 2/20 0.41
MAPK10 P53779 2/20 0.41
BRAF P15056 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
SCHEMBL84076 0.85 L3MBTL1 (0.52) MAPKAPK2L3MBTL1PIK3C3JAK2JAK1
SCHEMBL15358566 0.83 AAK1 (0.49) MAPKAPK2L3MBTL1PIK3C3JAK2JAK1
SCHEMBL21078952 0.83 AAK1 (0.49) MAPKAPK2L3MBTL1PIK3C3JAK2JAK1
Hydrochloric Acid SCHEMBL15350524 0.81 AAK1 (0.48) MAPKAPK2L3MBTL1PIK3C3JAK2JAK1
SCHEMBL20016547 0.80 L3MBTL1 (0.46) MAPKAPK2L3MBTL1PIK3C3JAK2JAK1
SCHEMBL7962904 0.76 PTGS1 (0.50)
SCHEMBL29626722 0.74 NR3C2 (0.44) MAPKAPK2RIOK2TYK2POLBNR3C2
SCHEMBL21200001 0.74 NR3C2 (0.44) MAPKAPK2RIOK2TYK2POLBNR3C2
SCHEMBL24031007 0.73 PTGS2 (0.46)
SCHEMBL2183698 0.73 AKR1C3 (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0674623-B1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2003-04-09 EP disclosed
EP-0674623-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1995-10-04 EP disclosed
WO-1994014776-A2 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-07-07 WO disclosed