SCHEMBL29138918

SCHEMBL29138918

O=CN1CCOC[C@H]1c1ccc(C(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.39
HIF1A Q16665 1/20 0.38
EPAS1 Q99814 1/20 0.38
PDE2A O00408 1/20 0.35
EPHX2 P34913 5/20 0.35
LMNA P02545 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
F2R P25116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HTR2C P28335 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
SCHEMBL29138870 1.00 AKR1C3 (0.39) AKR1C3HIF1AEPAS1PDE2AEPHX2
SCHEMBL29138796 1.00 AKR1C3 (0.39) AKR1C3HIF1AEPAS1PDE2AEPHX2
Trifluoroacetic Acid SCHEMBL29138866 0.92 AKR1C3 (0.40) AKR1C3HIF1AEPAS1EPHX2F2R
SCHEMBL29138909 0.92 EPHX2 (0.36) AKR1C3HIF1AEPAS1PDE2AEPHX2
SCHEMBL29138883 0.92 EPHX2 (0.36) AKR1C3HIF1AEPAS1PDE2AEPHX2
SCHEMBL29138867 0.89 MLYCD (0.32) HDAC1HDAC8HDAC6
SCHEMBL29138862 0.84 HDAC1 (0.38) AKR1C3KDM4EALDH1A1SMN1; SMN2HDAC1
SCHEMBL29138873 0.82 PRKDC (0.41) EPHX2
SCHEMBL29138877 0.82 PRKDC (0.41) EPHX2
SCHEMBL29138869 0.80 HIF1A (0.39) AKR1C3HIF1AEPAS1LMNAKDM4E

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