SCHEMBL9600519

SCHEMBL9600519

O=C(O)C(CO)Nc1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.50
FDPS P14324 1/20 0.50
NPC1 O15118 6/20 0.49
RAB9A P51151 6/20 0.49
PKM P14618 2/20 0.49
CHRNB2 P17787 1/20 0.48
CHRNB4 P30926 1/20 0.48
CHRNA3 P32297 1/20 0.48
CHRNA4 P43681 1/20 0.48
LMNA P02545 1/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
KDM4E B2RXH2 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ADORA3 P0DMS8 1/20 0.46

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
SCHEMBL9600527 1.00 GAA (0.50) GAAFDPSNPC1RAB9APKM
SCHEMBL5828232 0.85 FDPS (0.49) GAAFDPSNPC1RAB9APKM
SCHEMBL5511511 0.85 ALDH1A1 (0.51) GAAFDPSNPC1RAB9APKM
SCHEMBL6657106 0.85 FDPS (0.49) GAAFDPSNPC1RAB9APKM
SCHEMBL29416424 0.85 ALDH1A1 (0.51) GAAFDPSNPC1RAB9APKM
SCHEMBL5939842 0.84 L3MBTL1 (0.59) GAAFDPSNPC1RAB9APKM
SCHEMBL5939834 0.84 L3MBTL1 (0.59) GAAFDPSNPC1RAB9APKM
SCHEMBL5509024 0.83 MME (0.50) GAAFDPSNPC1RAB9APKM
SCHEMBL31606452 0.80 FDPS (0.44) GAAFDPSNPC1RAB9APKM
SCHEMBL561975 0.79 KDM4E (0.50) MEN1KMT2ASLC6A2SLC6A3KDM4E

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
WO-2012153253-A2 AROMATIC COMPOUNDS AND METAL COMPLEXES THEREOF DU PREEZ JAN GYSBERT HERMANUS (ZA) 2012-11-15 WO disclosed
WO-1993020053-A1 PYRIDYLSERINE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1993-10-14 WO disclosed
EP-0079390-B1 PROCESS FOR PREPARING BETA-HYDROXY AMINO ACID MITSUI TOATSU CHEMICALS, Inc. (JP) 1985-12-27 EP disclosed
EP-0079390-A1 PROCESS FOR PREPARING BETA-HYDROXY AMINO ACID MITSUI TOATSU CHEMICALS, Inc. (JP) 1983-05-25 EP disclosed