SCHEMBL31490980

SCHEMBL31490980

COc1ccc(NC(=O)C(F)(F)Br)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.69
PDK2 Q15119 1/20 0.69
PDK3 Q15120 1/20 0.69
PDK4 Q16654 1/20 0.69
SMN1; SMN2 Q16637 5/20 0.61
NPC1 O15118 5/20 0.61
RAB9A P51151 5/20 0.61
TP53 P04637 2/20 0.56
ALOX15 P16050 1/20 0.56
TGM2 P21980 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
HTT P42858 1/20 0.53
MAPT P10636 3/20 0.51
KMT2A Q03164 2/20 0.51
EPHX2 P34913 1/20 0.51
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
SAE1 Q9UBE0 1/20 0.51
UBA2 Q9UBT2 1/20 0.51
CYP1A2 P05177 1/20 0.51

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
SCHEMBL5546903 0.87 PDK1 (0.71) PDK1PDK2PDK3PDK4SMN1; SMN2
SCHEMBL31490975 0.84 EPHX2 (0.73) NPC1RAB9AL3MBTL1MAPTKMT2A
SCHEMBL31745201 0.84 PDK1 (0.66) PDK1PDK2PDK3PDK4SMN1; SMN2
SCHEMBL11356431 0.81 L3MBTL1 (0.73) PDK1PDK2PDK3PDK4SMN1; SMN2
SCHEMBL6928361 0.80 NPC1 (0.63) PDK1PDK2PDK3PDK4SMN1; SMN2
SCHEMBL28541583 0.79 HDAC1 (0.60) PDK1PDK2PDK3PDK4SMN1; SMN2
SCHEMBL28811374 0.79 PDK1 (0.60) PDK1PDK2PDK3PDK4SMN1; SMN2
SCHEMBL31490978 0.77 MEN1 (0.55) SMN1; SMN2NPC1RAB9ATP53TGM2
SCHEMBL29054792 0.77 ALDH1A1 (0.55) SMN1; SMN2NPC1RAB9ATGM2L3MBTL1
SCHEMBL2112169 0.77 PDK1 (0.61) PDK1PDK2PDK3PDK4SMN1; SMN2

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-119823137-A Nitrogen-containing cyclopyranoside derivative and preparation method thereof 淮北师范大学 2025-04-15 CN disclosed