SCHEMBL29138939

SCHEMBL29138939

O=CN1CCOC[C@H]1c1ccc(C(F)(F)F)cc1F

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HCRTR1 O43613 2/20 0.36
HCRTR2 O43614 2/20 0.36
CYP3A4 P08684 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
PNMT P11086 1/20 0.34
PDE2A O00408 1/20 0.34
EPHX2 P34913 2/20 0.33
SLC6A9 P48067 1/20 0.33
SLC6A5 Q9Y345 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL29138905 1.00 LMNA (0.36) LMNAKDM4EALDH1A1HCRTR1HCRTR2
SCHEMBL29138899 0.82 LRRK2 (0.39) HCRTR1HCRTR2EPHX2
SCHEMBL29138851 0.82 LRRK2 (0.39) HCRTR1HCRTR2EPHX2
SCHEMBL29138918 0.80 AKR1C3 (0.39) LMNAKDM4EALDH1A1SMN1; SMN2PDE2A
SCHEMBL29138870 0.80 AKR1C3 (0.39) LMNAKDM4EALDH1A1SMN1; SMN2PDE2A
SCHEMBL29138796 0.80 AKR1C3 (0.39) LMNAKDM4EALDH1A1SMN1; SMN2PDE2A
SCHEMBL29138900 0.75 HIF1A (0.39) LMNAKDM4ECYP3A4SMN1; SMN2GAA
SCHEMBL29138891 0.75 AR (0.36) ALDH1A1EPHX2HDAC8HDAC6
SCHEMBL29138864 0.75 AR (0.36) ALDH1A1EPHX2HDAC8HDAC6
SCHEMBL29138869 0.75 HIF1A (0.39) LMNAKDM4ECYP3A4SMN1; SMN2GAA

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-116888120-A PRMTS inhibitors 美国安进公司 2023-10-13 CN disclosed