SCHEMBL3410876

SCHEMBL3410876

CC(C)(C)OC(=O)NC1CNCC(OC(=O)c2ccccc2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.48
KDM1A O60341 1/20 0.46
MAOB P27338 1/20 0.46
KMT2A Q03164 2/20 0.44
REN P00797 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CHRNA7 P36544 2/20 0.43
GAA P10253 1/20 0.42
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
KCNA3 P22001 1/20 0.41
BTK Q06187 2/20 0.40
MEN1 O00255 1/20 0.40
BCHE P06276 1/20 0.39
CKS1B P61024 1/20 0.38

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
SCHEMBL29942104 0.88 KMT2A (0.52) EPHX2KDM1AMAOBKMT2AL3MBTL1
SCHEMBL15046770 0.88 KMT2A (0.52) EPHX2KDM1AMAOBKMT2AL3MBTL1
SCHEMBL2692835 0.80 KMT2A (0.45) EPHX2KDM1AMAOBKMT2AL3MBTL1
SCHEMBL5241303 0.78 KDM1A (0.55) EPHX2KDM1AMAOBKMT2AREN
SCHEMBL32664394 0.77 BTK (0.46) EPHX2KDM1AMAOBKMT2AREN
SCHEMBL13494272 0.77 BTK (0.46) EPHX2KDM1AMAOBKMT2AREN
SCHEMBL5376383 0.76 BTK (0.53) EPHX2KDM1AMAOBKMT2AREN
SCHEMBL1710195 0.76 BTK (0.53) EPHX2KDM1AMAOBKMT2AREN
SCHEMBL5390787 0.76 BTK (0.53) EPHX2KDM1AMAOBKMT2AREN
SCHEMBL5390795 0.76 BTK (0.53) EPHX2KDM1AMAOBKMT2AREN

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-2262802-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE Novartis AG (CH) 2010-12-22 EP disclosed
WO-2009109576-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2009-09-11 WO disclosed