SCHEMBL5531206

SCHEMBL5531206

O=C(Nc1cccnc1)C(=O)c1c(Cc2ccccc2)[nH]c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
PKM P14618 1/20 0.50
PDE4A P27815 5/20 0.49
PDE4B Q07343 5/20 0.49
PDE4C Q08493 5/20 0.49
PDE4D Q08499 5/20 0.49
IDO1 P14902 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PARP14 Q460N5 1/20 0.43
NAMPT P43490 2/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.42
L3MBTL1 Q9Y468 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 0.92 PDE4A (0.52) NPC1RAB9APKMPDE4APDE4B
SCHEMBL4029345 0.88 POLB (0.45) NPC1RAB9APOLBMAPTMEN1
SCHEMBL5528306 0.85 KMT2A (0.47) PDE4APDE4BPDE4CPDE4DIDO1
SCHEMBL8805578 0.80 ALDH1A1 (0.51) SMN1; SMN2PARP14MAPTMEN1KMT2A
SCHEMBL5533387 0.80 NPC1 (0.47) NPC1RAB9APKMSMN1; SMN2POLB
SCHEMBL5535769 0.80 GABRP (0.42) NPC1RAB9APDE4APDE4BPDE4C
SCHEMBL3824082 0.80 TUBB4A (0.53) NPC1RAB9APDE4APDE4BPDE4C
SCHEMBL5535174 0.77 MAPT (0.46) NPC1RAB9APOLBMAPTMEN1
SCHEMBL5532781 0.74 NPC1 (0.42) NPC1RAB9ASMN1; SMN2POLBMEN1
SCHEMBL4028332 0.73 RAB9A (0.73) NPC1RAB9APKMSMN1; SMN2MAPT

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