SCHEMBL6234096

SCHEMBL6234096

CC(=O)CNC(=O)CCNC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.49
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
GAA P10253 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
EPHX1 P07099 1/20 0.44
CA1 P00915 5/20 0.41
CA2 P00918 5/20 0.41
CA12 O43570 2/20 0.41
CA9 Q16790 2/20 0.41
KDM4E B2RXH2 4/20 0.40
POLB P06746 1/20 0.40
CYP3A4 P08684 1/20 0.40
RECQL P46063 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
MAPT P10636 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
SCHEMBL7514267 0.86 MEN1 (0.50) TDP1MAOAMAOBGAAMEN1
SCHEMBL12201805 0.84 TDP1 (0.44) TDP1MAOAMAOBGAAMEN1
SCHEMBL4001822 0.83 TDP1 (0.56) TDP1MAOAMAOBGAAMEN1
SCHEMBL9766290 0.83 MEN1 (0.47) TDP1MAOAMAOBGAAMEN1
SCHEMBL959018 0.83 TDP1 (0.50) TDP1MAOAMAOBGAAMEN1
SCHEMBL12656066 0.82 TDP1 (0.61) TDP1MAOAMAOBGAAMEN1
SCHEMBL25827367 0.82 GAA (0.58) TDP1MAOAMAOBGAAMEN1
SCHEMBL15244383 0.81 TDP1 (0.50) TDP1MAOAMAOBGAAMEN1
SCHEMBL5041833 0.81 MEN1 (0.51) TDP1MAOAMAOBGAAMEN1
SCHEMBL27801417 0.81 TDP1 (0.50) TDP1MAOAMAOBGAAMEN1

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
WO-2005000309-A2 CHEMICAL COMPOUNDS IONIX PHARMACEUTICALS LIMITED (GB) 2005-01-06 WO disclosed