SCHEMBL29138900

SCHEMBL29138900

O=CN1CCOC[C@@H]1c1ccc(C(F)(F)F)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.39
EPAS1 Q99814 2/20 0.39
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
LIPE Q05469 1/20 0.38
FGFR4 P22455 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ABL1 P00519 1/20 0.35
LMNA P02545 1/20 0.35
PDE9A O76083 1/20 0.35
MAPT P10636 1/20 0.34
STAT3 P40763 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
SCN9A Q15858 1/20 0.33
PIK3CA P42336 3/20 0.33
AKR1C3 P42330 1/20 0.33
MTOR P42345 2/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL29138869 1.00 HIF1A (0.39) HIF1AEPAS1TMEM97SIGMAR1LIPE
SCHEMBL29138795 0.81 ATM (0.31) HDAC8HDAC6PIK3CAMTOR
SCHEMBL29138918 0.80 AKR1C3 (0.39) HIF1AEPAS1KDM4ELMNASMN1; SMN2
SCHEMBL29138870 0.80 AKR1C3 (0.39) HIF1AEPAS1KDM4ELMNASMN1; SMN2
SCHEMBL29138796 0.80 AKR1C3 (0.39) HIF1AEPAS1KDM4ELMNASMN1; SMN2
SCHEMBL31424110 0.78 KDM4E (0.34) HIF1AEPAS1TMEM97SIGMAR1LIPE
SCHEMBL29138856 0.77 HCRTR1 (0.33) LMNASMN1; SMN2PIK3CAMTOR
SCHEMBL29138906 0.77 KDM4E (0.32) HIF1AEPAS1FGFR4KDM4EABL1
SCHEMBL29138939 0.75 LMNA (0.36) KDM4ELMNASMN1; SMN2HDAC8HDAC6
SCHEMBL30714973 0.75 PIK3C3 (0.41) KDM4EMAPTSMN1; SMN2MTOR

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