SCHEMBL28524784

SCHEMBL28524784

CC(C)(C)[Si](C)(C)OC/C=C/c1cn(Cc2ccc(F)cc2)c(=O)c(N2CCSCC2)n1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SRC P12931 3/20 0.33
FLT3 P36888 3/20 0.33
FYN P06241 2/20 0.33
SOS1 Q07889 1/20 0.31
P2RX7 Q99572 3/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
HDAC6 Q9UBN7 2/20 0.31
HTR3E A5X5Y0 1/20 0.30
HTR3B O95264 1/20 0.30
HTR3A P46098 1/20 0.30
HTR3D Q70Z44 1/20 0.30
HTR3C Q8WXA8 1/20 0.30
TSHR P16473 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
SCHEMBL21553002 0.89 ALDH1A1 (0.35) SRCFLT3FYNSOS1P2RX7
SCHEMBL21553001 0.88 SRC (0.33) SRCFLT3FYNSOS1P2RX7
SCHEMBL21552977 0.87 MAPK1 (0.34) SRCFLT3FYNSOS1PIK3CA
SCHEMBL21552974 0.87 MAPK1 (0.34) SRCFLT3FYNSOS1PIK3CA
SCHEMBL21553082 0.85 GAA (0.36) HDAC6
SCHEMBL21553084 0.85 GAA (0.36) HDAC6
SCHEMBL21552969 0.78 PDE1B (0.37) HDAC6
SCHEMBL21552966 0.78 PDE1B (0.37) HDAC6
SCHEMBL21564857 0.77 CNR2 (0.36) HDAC6
SCHEMBL21553158 0.76 GAA (0.32) HDAC6HTR3A

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-112513020-A KDM1A inhibitors for the treatment of disease 伊美格生物科学公司 2021-03-16 CN disclosed