SCHEMBL28707121

SCHEMBL28707121

CC(C)(C)[Si](C)(C)C(=O)c1ccc2c(c1)c(C=Cc1ccccn1)nn2C1CCCCO1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT2 Q96PD7 1/20 0.34
PDE10A Q9Y233 2/20 0.33
CYP4F2 P78329 2/20 0.33
CYP4A11 Q02928 2/20 0.33
KDR P35968 4/20 0.32
ATR Q13535 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
RET P07949 1/20 0.31
LMNA P02545 2/20 0.31
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
PKM P14618 1/20 0.30
KMT2A Q03164 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL30792137 0.89 PDE10A (0.39) DGAT2PDE10ACYP4F2CYP4A11KDR
SCHEMBL28698688 0.89 PDE10A (0.39) DGAT2PDE10ACYP4F2CYP4A11KDR
SCHEMBL29390079 0.89 PDE10A (0.39) DGAT2PDE10ACYP4F2CYP4A11KDR
SCHEMBL28698692 0.89 PDE10A (0.39) DGAT2PDE10ACYP4F2CYP4A11KDR
SCHEMBL30792270 0.81 RET (0.37) CYP4F2CYP4A11KDRATRRET
SCHEMBL28684894 0.81 RET (0.37) CYP4F2CYP4A11KDRATRRET
SCHEMBL28684897 0.81 RET (0.37) CYP4F2CYP4A11KDRATRRET
SCHEMBL29387740 0.81 RET (0.37) CYP4F2CYP4A11KDRATRRET
SCHEMBL29705188 0.81 FGFR1 (0.38) PDE10ACYP4F2CYP4A11ATRRET
SCHEMBL18198891 0.81 FGFR1 (0.38) PDE10ACYP4F2CYP4A11ATRRET

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-114072387-A Indazole compound and medicinal composition and application thereof 暨南大学 2022-02-18 CN disclosed