SCHEMBL28528301

SCHEMBL28528301

O/N=C/Cc1nc2ccccc2o1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.58
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
TP53 P04637 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
LMNA P02545 2/20 0.53
LOXL2 Q9Y4K0 1/20 0.51
HTT P42858 2/20 0.45
GFER P55789 1/20 0.45
HDAC3 O15379 2/20 0.43
HDAC4 P56524 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC11 Q96DB2 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC9 Q9UKV0 2/20 0.43
HDAC5 Q9UQL6 2/20 0.43

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
SCHEMBL28518705 1.00 MAPT (0.58) MAPTNPC1RAB9ATP53SMN1; SMN2
SCHEMBL29953526 0.77 MAPT (0.63) MAPTNPC1RAB9ATP53SMN1; SMN2
SCHEMBL7315076 0.77 NPC1 (0.63) MAPTNPC1RAB9ATP53SMN1; SMN2
SCHEMBL1730801 0.77 MAPT (0.63) MAPTNPC1RAB9ATP53SMN1; SMN2
SCHEMBL28515348 0.76 NPC1 (0.45) MAPTNPC1RAB9ATP53SMN1; SMN2
SCHEMBL28882874 0.76 NPC1 (0.61) MAPTNPC1RAB9ATP53SMN1; SMN2
Benzene SCHEMBL6030702 0.76 MAPT (0.61) MAPTNPC1RAB9ATP53SMN1; SMN2
SCHEMBL28526217 0.75 XDH (0.53) MAPTNPC1RAB9ATP53SMN1; SMN2
SCHEMBL9848762 0.74 NPC1 (0.70) MAPTNPC1RAB9ATP53SMN1; SMN2
SCHEMBL2125047 0.74 NPC1 (0.70) MAPTNPC1RAB9ATP53SMN1; SMN2

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
CN-107759532-B Benzoxazole-2-ethyl oxime derivative, and preparation method and application thereof 苏州大学 2021-02-12 CN disclosed