SCHEMBL5804271

SCHEMBL5804271

COc1cccc(C=NNC=O)c1O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.69
NPC1 O15118 7/20 0.69
SMN1; SMN2 Q16637 6/20 0.69
KDM4E B2RXH2 6/20 0.69
POLB P06746 4/20 0.69
HTT P42858 4/20 0.69
L3MBTL1 Q9Y468 4/20 0.69
LMNA P02545 2/20 0.69
RECQL P46063 2/20 0.69
TLR2 O60603 1/20 0.61
ERN1 O75460 1/20 0.61
TLR1 Q15399 1/20 0.61
TLR6 Q9Y2C9 1/20 0.61
CA12 O43570 1/20 0.59
KMT2A Q03164 7/20 0.59
MEN1 O00255 6/20 0.59
GAA P10253 5/20 0.59
RAB9A P51151 3/20 0.59
PKM P14618 2/20 0.59
KLF5 Q13887 2/20 0.59

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
SCHEMBL19936663 0.83 MAPT (0.70) MAPTNPC1SMN1; SMN2KDM4EPOLB
SCHEMBL5804267 0.81 NPC1 (0.68) MAPTNPC1SMN1; SMN2KDM4EPOLB
SCHEMBL5804270 0.81 NPC1 (0.68) MAPTNPC1SMN1; SMN2KDM4EPOLB
SCHEMBL19710748 0.79 NOX4 (0.65) MAPTNPC1SMN1; SMN2KDM4EPOLB
SCHEMBL9458185 0.79 KDM4E (0.74) MAPTNPC1SMN1; SMN2KDM4EPOLB
SCHEMBL19519011 0.78 POLB (0.86) MAPTNPC1SMN1; SMN2KDM4EPOLB
SCHEMBL13617293 0.77 MAPT (0.86) MAPTNPC1SMN1; SMN2KDM4EPOLB
SCHEMBL683795 0.77 MAPT (0.86) MAPTNPC1SMN1; SMN2KDM4EPOLB
SCHEMBL6822725 0.77 CA12 (0.70) MAPTNPC1SMN1; SMN2KDM4EPOLB
SCHEMBL19089795 0.77 CA12 (0.70) MAPTNPC1SMN1; SMN2KDM4EPOLB

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-2006093518-A2 THIENYL COMPOUNDS FOR TREATING VIRUS-RELATED CONDITIONS APATH, LLC (US) 2006-09-08 WO disclosed