SCHEMBL21564597

SCHEMBL21564597

CCOC(=O)CCc1cn(SF)c(=O)c(N2CC3(COC3)C2)n1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 1/20 0.37
LMNA P02545 3/20 0.33
KDM4E B2RXH2 3/20 0.32
HSD17B10 Q99714 2/20 0.32
ALDH1A1 P00352 2/20 0.32
AKT1 P31749 2/20 0.32
MAPT P10636 3/20 0.32
DDX3X O00571 1/20 0.32
MBOAT4 Q96T53 2/20 0.32
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
SYK P43405 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CNR2 P34972 1/20 0.30
KCNQ3 O43525 1/20 0.30
KCNQ2 O43526 1/20 0.30
PDE3B Q13370 1/20 0.30
PDE3A Q14432 1/20 0.30
P2RY12 Q9H244 1/20 0.30

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
SCHEMBL21553086 0.82 GABRA2 (0.39) PFKFB3LMNAKDM4EHSD17B10MAPT
SCHEMBL21564763 0.82 LMNA (0.37) LMNAKDM4EALDH1A1MAPTL3MBTL1
SCHEMBL21553095 0.79 PFKFB3 (0.37) PFKFB3LMNAKDM4EHSD17B10ALDH1A1
SCHEMBL21553066 0.78 PTGS2 (0.41) PFKFB3ALDH1A1SYK
SCHEMBL21552964 0.77 PFKFB3 (0.38) PFKFB3LMNAKDM4EHSD17B10ALDH1A1
SCHEMBL21564616 0.67 POLB (0.43) LMNAKDM4EHSD17B10ALDH1A1AKT1
SCHEMBL21564466 0.64 AKT1 (0.40) LMNAALDH1A1AKT1HTTL3MBTL1
SCHEMBL21564780 0.64 GABRA2 (0.43) LMNAKDM4EHSD17B10ALDH1A1MAPT
SCHEMBL23387322 0.61 LIPE (0.48) PFKFB3LMNAKDM4EALDH1A1AKT1
SCHEMBL21564592 0.61

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
WO-2019217972-A1 KDM1A INHIBITORS FOR THE TREATMENT OF DISEASE IMAGO BIOSCIENCES, INC. (US) 2019-11-14 WO disclosed