SCHEMBL6429384

SCHEMBL6429384

COC(=O)c1[nH]ccc1NC(=O)Nc1ccc(C2=CC(N3CCOCC3)CCC2)c2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.38
KDM4E B2RXH2 4/20 0.37
MAPK14 Q16539 6/20 0.36
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
ABL1 P00519 1/20 0.34
EGFR P00533 1/20 0.34
RAF1 P04049 1/20 0.34
LYN P07948 1/20 0.34
BRAF P15056 1/20 0.34
EPHA2 P29317 1/20 0.34
EPHA3 P29320 1/20 0.34
AKT1 P31749 1/20 0.34
MAPK9 P45984 1/20 0.34
MAPT P10636 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ALOX15 P16050 1/20 0.32
GRM5 P41594 1/20 0.32

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
SCHEMBL6429382 0.81 MAPK14 (0.33) KDM4EMAPK14MAPK13MAPK12MAPK11
SCHEMBL4092099 0.80 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11ABL1
SCHEMBL4081183 0.80 RAF1 (0.48) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL6260492 0.75 MAPK14 (0.41) MAPK14MAPK13MAPK12MAPK11ABL1
SCHEMBL4092785 0.74 MAPK14 (0.41) MAPK14MAPK13MAPK12MAPK11ABL1
SCHEMBL4081991 0.72 ABL1 (0.61) MAPK14MAPK13MAPK12MAPK11ABL1
SCHEMBL4092473 0.70 ABL1 (0.60) MAPK14MAPK13MAPK12MAPK11ABL1
SCHEMBL6163426 0.59 MAPK14 (0.59) MAPK14MAPK13MAPK12MAPK11ABL1
SCHEMBL6165331 0.58 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11ABL1
SCHEMBL6166925 0.58 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1496900-A2 NEW PHARMACEUTICAL COMPOSITIONS BASED ON ANTICHOLINERGICS AND P38 KINASE INHIBITORS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2005-01-19 EP disclosed
WO-2003084539-A2 NEW PHARMACEUTICAL COMPOSITIONS BASED ON ANTICHOLINERGICS AND P38 KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-10-16 WO disclosed