SCHEMBL8848964

SCHEMBL8848964

CC(=O)NN=Cc1cccc(O)c1O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX4 Q9NPH5 1/20 0.76
KDM4E B2RXH2 4/20 0.62
GAA P10253 3/20 0.62
LMNA P02545 3/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
MAPT P10636 2/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
MPI P34949 1/20 0.62
KDM1A O60341 1/20 0.58
CTRC Q99895 1/20 0.56
DUSP3 P51452 1/20 0.56
PTPN5 P54829 1/20 0.56
PTPN11 Q06124 1/20 0.56
POLB P06746 2/20 0.55
RAB9A P51151 1/20 0.55
NPC1 O15118 1/20 0.54
HTT P42858 1/20 0.54
RECQL P46063 1/20 0.54
MGAM O43451 1/20 0.53
SI P14410 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
SCHEMBL8848959 1.00 NOX4 (0.76) NOX4KDM4EGAALMNASMN1; SMN2
SCHEMBL31035857 0.86 CTRC (0.74) NOX4KDM4EGAALMNAL3MBTL1
SCHEMBL2964189 0.86 CTRC (0.74) NOX4KDM4EGAALMNAL3MBTL1
SCHEMBL2964190 0.86 CTRC (0.74) NOX4KDM4EGAALMNAL3MBTL1
SCHEMBL15275631 0.84 NOX4 (0.54) NOX4KDM4EGAALMNASMN1; SMN2
SCHEMBL3283258 0.83 NOX4 (0.76) NOX4KDM4EGAALMNASMN1; SMN2
SCHEMBL13952237 0.81 NOX4 (0.71) NOX4KDM4EGAALMNASMN1; SMN2
SCHEMBL14983946 0.80 NOX4 (0.69) NOX4KDM4EGAALMNASMN1; SMN2
SCHEMBL6749929 0.80 NOX4 (0.69) NOX4KDM4EGAALMNASMN1; SMN2
SCHEMBL1639424 0.80 NTRK1 (0.81) NOX4KDM4EGAASMN1; SMN2MAPT

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
EP-0764685-A2 Polymer solutions COURTAULDS FIBRES (HOLDINGS) LIMITED (GB) 1997-03-26 EP disclosed