SCHEMBL1385656

SCHEMBL1385656

CCOC(=O)c1c(C)nn(-c2cc(C(=O)NC3CC3)ccc2C)c1N.CCOC(=O)c1c(OCC(=O)NCc2cccc(Cl)c2)nn(-c2cc(C(=O)NC3CC3)ccc2C)c1N

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 1/20 0.45
HPGD P15428 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPK14 Q16539 9/20 0.44
L3MBTL1 Q9Y468 2/20 0.40
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
ANO1 Q5XXA6 1/20 0.36
MAPK1 P28482 1/20 0.36
PLA2G1B P04054 1/20 0.36
HTT P42858 1/20 0.36
ATG4B Q9Y4P1 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 0.97 LMNA (0.46) LMNASMN1; SMN2MEN1HPGDKMT2A
SCHEMBL1417234 0.90 MAPK14 (0.46) LMNASMN1; SMN2MAPK14L3MBTL1ROCK2
SCHEMBL2218015 0.87 LMNA (0.45) LMNASMN1; SMN2MAPK14L3MBTL1ROCK2
SCHEMBL1382659 0.82 MAPK14 (0.50) HPGDMAPK14
SCHEMBL1416943 0.81 MAPK14 (0.47) LMNAMAPK14
SCHEMBL1386596 0.78 LMNA (0.55) LMNAMAPK14
SCHEMBL11982571 0.76 MAPK14 (0.48) HPGDMAPK14
SCHEMBL1385239 0.74 MAPK14 (0.49) SMN1; SMN2HPGDMAPK14
SCHEMBL1383938 0.74 MAPK14 (0.58) LMNASMN1; SMN2MAPK14ROCK2ROCK1
SCHEMBL2217376 0.73 MAPK14 (0.45) LMNASMN1; SMN2MAPK14ROCK2ROCK1

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
JP-4838121-B2 2011-12-14 JP claimed
JP-2007521278-A 2007-08-02 JP claimed
EP-1641764-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS Novartis AG (CH) 2006-04-05 EP claimed
WO-2005009973-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS NOVARTIS AG (CH) 2005-02-03 WO claimed