SCHEMBL29249448

SCHEMBL29249448

COC(=O)CSc1ccc(N)c(N)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.56
GAA P10253 4/20 0.56
GLA P06280 3/20 0.56
KDM4E B2RXH2 3/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
ALDH1A1 P00352 7/20 0.54
HSD17B10 Q99714 5/20 0.54
HPGD P15428 4/20 0.54
ALOX15 P16050 3/20 0.54
MAPK1 P28482 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
TP53 P04637 1/20 0.49
RXFP1 Q9HBX9 2/20 0.44
GFER P55789 1/20 0.44
KMT2A Q03164 3/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL8349274 0.81 MAPT (0.48) MAPTGAAGLAKDM4ECYP1A2
SCHEMBL874798 0.81 MAPT (0.53) MAPTGAAGLAKDM4ECYP1A2
SCHEMBL8667113 0.79 MAPT (0.51) MAPTGAAGLAKDM4ECYP1A2
SCHEMBL6823148 0.78 MAPT (0.57) MAPTGAAGLAKDM4ECYP1A2
SCHEMBL19212375 0.78 MAPT (0.45) MAPTGAAGLAKDM4ECYP1A2
SCHEMBL15426812 0.77 MAPT (0.55) MAPTGAAGLAKDM4ECYP1A2
SCHEMBL8147119 0.77 MAPT (0.64) MAPTGAAGLAKDM4ECYP1A2
SCHEMBL5278158 0.77 ANPEP (0.64) MAPTGAAGLAKDM4ECYP1A2
SCHEMBL8147865 0.75 MAPT (0.62) MAPTGAAGLAKDM4ECYP1A2
SCHEMBL6239095 0.75 MAPT (0.54) MAPTGAAGLAKDM4ECYP1A2

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-117980300-A Autotaxin inhibitors 明斯特大学 2024-05-03 CN disclosed