SCHEMBL2218015

SCHEMBL2218015

CCOC(=O)Oc1c(OCC(=O)NCc2cccc(Cl)c2)nn(-c2cc(C(=O)NC3CC3)ccc2C)c1N

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPK14 Q16539 13/20 0.44
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
PLA2G1B P04054 1/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
DRD4 P21917 1/20 0.36

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
SCHEMBL1386356 0.90 LMNA (0.46) LMNASMN1; SMN2MAPK14ROCK2ROCK1
SCHEMBL1417234 0.87 MAPK14 (0.46) LMNASMN1; SMN2MAPK14ROCK2ROCK1
SCHEMBL1385656 0.87 LMNA (0.45) LMNASMN1; SMN2MAPK14ROCK2ROCK1
SCHEMBL2215104 0.82 MAPK14 (0.46) LMNAMAPK14
SCHEMBL2216787 0.79 MAPK14 (0.48) MAPK14
SCHEMBL2217376 0.76 MAPK14 (0.45) LMNASMN1; SMN2MAPK14ROCK2ROCK1
SCHEMBL2214450 0.76 MAPK14 (0.46) MAPK14L3MBTL1
SCHEMBL1383938 0.76 MAPK14 (0.58) LMNASMN1; SMN2MAPK14ROCK2ROCK1
SCHEMBL11982588 0.74 MAPK14 (0.52) LMNASMN1; SMN2MAPK14ROCK2ROCK1
SCHEMBL1416943 0.72 MAPK14 (0.47) LMNAMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1641764-B1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS NOVARTIS AG (CH) 2011-07-27 EP claimed