SCHEMBL5885540

SCHEMBL5885540

NC(=S)NN=Cc1ccccc1N

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.70
KDM4E B2RXH2 3/20 0.70
L3MBTL1 Q9Y468 2/20 0.70
MAOB P27338 1/20 0.68
MAPT P10636 2/20 0.61
LMNA P02545 1/20 0.61
MPI P34949 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
ALDH1A1 P00352 2/20 0.59
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
RRM1 P23921 1/20 0.58
RRM2 P31350 1/20 0.58
RRM2B Q7LG56 1/20 0.58
CISD1 Q9NZ45 1/20 0.58
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
POLB P06746 1/20 0.54
GUSB P08236 1/20 0.53

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
SCHEMBL5885538 1.00 GAA (0.70) GAAKDM4EL3MBTL1MAOBMAPT
SCHEMBL3084339 0.89 GAA (0.79) GAAKDM4EL3MBTL1MAOBMAPT
SCHEMBL3084344 0.89 GAA (0.79) GAAKDM4EL3MBTL1MAOBMAPT
Salicylaldehyde Thiosemicarbazone SCHEMBL3072985 0.82 GAA (1.00) GAAKDM4EL3MBTL1MAOBMAPT
SCHEMBL21519509 0.82 GAA (0.47) GAAKDM4EL3MBTL1MAOBMAPT
Salicylaldehyde Thiosemicarbazone SCHEMBL29456536 0.82 GAA (1.00) GAAKDM4EL3MBTL1MAOBMAPT
Salicylaldehyde Thiosemicarbazone SCHEMBL3072988 0.82 GAA (1.00) GAAKDM4EL3MBTL1MAOBMAPT
SCHEMBL3691048 0.81 KDM4E (0.68) GAAKDM4EL3MBTL1MAOBMAPT
SCHEMBL3691050 0.81 KDM4E (0.68) GAAKDM4EL3MBTL1MAOBMAPT
SCHEMBL7650941 0.81 MAOB (1.00) GAAKDM4EL3MBTL1MAOBMAPT

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
US-7041994-B2 Radioprotective materials and utilization thereof ALLMIGHTY CO., LTD. (JP) 2006-05-09 US claimed
US-20030080303-A1 Radioprotective materials and utilization thereof ALLMIGHTY CO., LTD. (JP) 2003-05-01 US claimed