SCHEMBL6153397

SCHEMBL6153397

CCc1ccc(NC(=O)Nc2ccc(-c3ccc(CN4CCOCC4)nc3)c3ccccc23)cc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.58
ABL1 P00519 2/20 0.58
RAF1 P04049 2/20 0.58
LYN P07948 2/20 0.58
MAPK9 P45984 2/20 0.58
SRC P12931 1/20 0.58
EGFR P00533 1/20 0.55
BRAF P15056 1/20 0.55
EPHA2 P29317 1/20 0.55
EPHA3 P29320 1/20 0.55
AKT1 P31749 1/20 0.55
KDR P35968 3/20 0.43
KIT P10721 2/20 0.41
FLT3 P36888 2/20 0.41
MOK Q9UQ07 4/20 0.41
THRB P10828 1/20 0.41
POLB P06746 1/20 0.40
MCL1 Q07820 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL4086571 0.92 MAPK14 (0.59) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL4091881 0.90 MAPK14 (0.57) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL4092587 0.86 ABL1 (0.65) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL4082008 0.86 MAPK14 (0.61) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL4092496 0.84 MAPK14 (0.59) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL4098061 0.84 MAPK14 (0.59) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL4092957 0.84 MAPK14 (0.63) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL4261859 0.84 MAPK14 (0.65) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL4092250 0.83 MAPK14 (0.72) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL4098846 0.83 MAPK14 (0.64) MAPK14ABL1RAF1LYNMAPK9

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-1534282-A2 PHARMACEUTICAL COMPOSITIONS OF ANTICHOLINERGICS AND P38 KINASE INHIBITORS IN THE TREATMENT OF RESPIRATORY DISEASES Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2005-06-01 EP disclosed
EP-1494645-A2 METHOD OF TREATING MUCUS HYPERSECRETION Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2005-01-12 EP disclosed
WO-2004004725-A2 PHARMACEUTICAL COMPOSITIONS OF ANTICHOLINERGICS AND P38 KINASE INHIBITORS IN THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-01-15 WO disclosed
WO-2003084503-A2 P38 KINASE INHIBITORS FOR TREATING MUCUS HYPERSECRETION_ BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-10-16 WO disclosed