SCHEMBL5528306

SCHEMBL5528306

O=C(Nc1ccc(F)cc1)C(=O)c1c(Cc2cccnc2)[nH]c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPT P10636 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
POLB P06746 1/20 0.46
NAMPT P43490 2/20 0.45
PARP14 Q460N5 1/20 0.43
IDO1 P14902 3/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL5532784 0.90 PDE4A (0.52) KMT2AMEN1ALDH1A1IDO1PDE4A
SCHEMBL5535174 0.87 MAPT (0.46) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL5535769 0.87 GABRP (0.42) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL5531206 0.85 NPC1 (0.50) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL4029345 0.82 POLB (0.45) KMT2AMEN1MAPTPOLB
SCHEMBL5528849 0.82 MEN1 (0.42) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL5538626 0.79 MAPT (0.57) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL5530790 0.78 NPC1 (0.43) KMT2AMEN1GAA
SCHEMBL5531131 0.77 RAB9A (0.47) KMT2AMEN1ALDH1A1PDE4APDE4B
SCHEMBL3824082 0.76 TUBB4A (0.53) KMT2AMEN1MAPTPOLBNAMPT

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-1809279-A1 NANOPARTICULATE COMPOSITIONS OF TUBULIN INHIBITOR BAXTER INTERNATIONAL INC. (US) 2007-07-25 EP claimed
WO-2006052712-A1 NANOPARTICULATE COMPOSITIONS OF TUBULIN INHIBITOR BAXTER INTERNATIONAL INC. (US) 2006-05-18 WO claimed