SCHEMBL29059172

SCHEMBL29059172

O=C(/C=C/C(=O)OC1C=Cc2ccccc21)OC1C=Cc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HTR6 P50406 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HTR2A P28223 1/20 0.32
ATM Q13315 1/20 0.31
CYP2D6 P10635 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
RET P07949 1/20 0.30
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL50555 1.00 POLB (0.37) POLBKDM4EALDH1A1HTR6MAPT
SCHEMBL27926854 0.92 HCAR2 (0.38) POLBKDM4EALDH1A1MAPTHCAR2
SCHEMBL27902025 0.91 POLB (0.34) POLBKDM4EALDH1A1RETLMNA
SCHEMBL9308792 0.88 LMNA (0.43) ALDH1A1MAPTCYP2D6HCAR2LMNA
SCHEMBL15665769 0.87 POLB (0.35) POLBKDM4EALDH1A1HTR6HTR2A
SCHEMBL6700611 0.84 POLB (0.39) POLBKDM4EALDH1A1HTR6MAPT
SCHEMBL30931450 0.82 POLB (0.38) POLBKDM4EALDH1A1HTR6HTR2A
SCHEMBL89374 0.81 POLB (0.49) POLBKDM4EALDH1A1HTR6MAPT
SCHEMBL8697270 0.81 POLB (0.49) POLBKDM4EALDH1A1HTR6MAPT
SCHEMBL8694188 0.81 POLB (0.49) POLBKDM4EALDH1A1HTR6MAPT

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-116655606-A Novel deuterated triazine compound, preparation method, composition and application thereof 广州谷森制药有限公司 2023-08-29 CN disclosed