SCHEMBL28037868

SCHEMBL28037868

CC(=NNC(=S)NN=Cc1ccccc1O)c1cc2ccccc2oc1=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 10/20 0.67
MGAM O43451 9/20 0.67
SI P14410 9/20 0.67
MGAM2 Q2M2H8 9/20 0.67
KDR P35968 1/20 0.59
MAPT P10636 3/20 0.53
HPGD P15428 3/20 0.52
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 2/20 0.52
HTT P42858 2/20 0.52
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
NT5E P21589 1/20 0.49
S1PR4 O95977 1/20 0.49
GLA P06280 1/20 0.49
S1PR1 P21453 1/20 0.49

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
SCHEMBL28037531 0.90 KDR (0.55) GAAMGAMSIMGAM2KDR
SCHEMBL28037866 0.82 GAA (0.68) GAAMGAMSIMGAM2KDR
SCHEMBL4390502 0.81 MGAM (1.00) GAAMGAMSIMGAM2
SCHEMBL28037533 0.81 KDR (0.71) GAAKDRMAPTHPGDALDH1A1
SCHEMBL9670927 0.74 MAPT (0.72) GAAMGAMSIMGAM2KDR
SCHEMBL9670924 0.74 MAPT (0.72) GAAMGAMSIMGAM2KDR
SCHEMBL17327747 0.74 MAPT (0.77) GAAKDRMAPTHPGDALDH1A1
SCHEMBL28153425 0.73 MAPT (0.73) KDRMAPTHPGDALDH1A1KDM4E
SCHEMBL15457449 0.72 L3MBTL1 (0.74) GAAMAPTHPGDALDH1A1KDM4E
SCHEMBL8298413 0.69 MAOB (0.69) MAPTHPGDALDH1A1KDM4EHTT

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-105017197-A Semicarbazone compound preparation method and application in biomedicine UNIV HUAZHONG NORMAL 2015-11-04 CN disclosed