SCHEMBL29138891

SCHEMBL29138891

O=CN1CCOC[C@H]1c1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.36
NOTUM Q6P988 1/20 0.34
GRIN2B Q13224 2/20 0.34
ABCC9 O60706 1/20 0.34
ABCC8 Q09428 1/20 0.34
KCNJ11 Q14654 1/20 0.34
KCNJ8 Q15842 1/20 0.34
PIK3C3 Q8NEB9 1/20 0.34
RXRA P19793 1/20 0.33
GRIN1 Q05586 1/20 0.33
ADRA2A P08913 1/20 0.33
CHRNB2 P17787 1/20 0.33
ADRA2C P18825 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
ALDH1A1 P00352 1/20 0.32
PIK3CA P42336 2/20 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
SCHEMBL29138864 1.00 AR (0.36) ARNOTUMGRIN2BABCC9ABCC8
SCHEMBL29138818 0.82 GRM2 (0.37) PIK3C3ALDH1A1AKT1EPHX2
SCHEMBL29138853 0.82 GRM2 (0.37) PIK3C3ALDH1A1AKT1EPHX2
SCHEMBL29138918 0.80 AKR1C3 (0.39) ALDH1A1HDAC1HDAC8HDAC6EPHX2
SCHEMBL29138870 0.80 AKR1C3 (0.39) ALDH1A1HDAC1HDAC8HDAC6EPHX2
SCHEMBL29138796 0.80 AKR1C3 (0.39) ALDH1A1HDAC1HDAC8HDAC6EPHX2
SCHEMBL29138862 0.78 HDAC1 (0.38) ALDH1A1HDAC1HDAC8HDAC6
SCHEMBL29138881 0.77 HDAC4 (0.36) PIK3CAMTORHDAC1HDAC8HDAC6
SCHEMBL29138880 0.77 HDAC4 (0.36) PIK3CAMTORHDAC1HDAC8HDAC6
SCHEMBL29138867 0.75 MLYCD (0.32) HDAC1HDAC8HDAC6

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