SCHEMBL28569245

SCHEMBL28569245

Cc1cc(C)c2occ(I)c(=O)c2c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 9/20 0.37
CSNK2B P67870 9/20 0.37
CSNK2A1 P68400 9/20 0.37
POLB P06746 2/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TP53 P04637 1/20 0.32
ATM Q13315 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
ABCB1 P08183 1/20 0.32
PARP1 P09874 2/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL26104769 0.83 PTPN1 (0.43) MAPTTHRB
SCHEMBL31298110 0.83 PTPN1 (0.43) MAPTTHRB
SCHEMBL5373635 0.76 PTPN1 (0.54) CSNK2A2CSNK2BCSNK2A1POLBALDH1A1
SCHEMBL28567067 0.75 CES1 (0.42) POLBALDH1A1KMT2ATDP1MAPT
SCHEMBL11551282 0.75 ALDH1A1 (0.59) CSNK2A2CSNK2BCSNK2A1POLBALDH1A1
SCHEMBL11620092 0.75 MAOB (0.46) CSNK2A2CSNK2BCSNK2A1POLBALDH1A1
SCHEMBL27313609 0.74 KDM4E (0.38) CSNK2A2CSNK2BCSNK2A1ALDH1A1MAPT
SCHEMBL17522055 0.71 KMT2A (0.59) POLBALDH1A1KMT2ATDP1MAPT
SCHEMBL27700653 0.71 ALDH1A1 (0.55) ALDH1A1MAPTTHRBCYP3A4CYP2C19
SCHEMBL17876373 0.70 PTPN1 (0.45) POLBALDH1A1KMT2ATDP1MAPT

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118406075-A Silicon-containing polycyclic chromone skeleton compound, preparation method and application thereof 遵义医科大学 2024-07-30 CN disclosed
CN-118255735-A Preparation method of cyclopenta [ b ] chromone compound 遵义医科大学 2024-06-28 CN disclosed
CN-114560838-B Preparation method of 2-amino-3-formyl chromone compound 遵义医科大学 2023-09-15 CN disclosed
CN-112898256-B Preparation method of 1, 2-dihydrocyclopenta [ b ] chromene-3, 9-diketone compound 遵义医科大学 2023-01-31 CN disclosed
CN-113149948-B Preparation method and application of 3-methylene cyclopentano [ b ] chromone compound 遵义医科大学 2022-07-08 CN disclosed
CN-114560838-A Preparation method of 2-amino-3-formyl chromone compound 遵义医科大学 2022-05-31 CN disclosed
CN-113149948-A Preparation method and application of 3-methylene cyclopentano [ b ] chromone compound 遵义医科大学 2021-07-23 CN disclosed
CN-112898256-A Preparation method of 1, 2-dihydrocyclopenta [ b ] chromene-3, 9-diketone compound 遵义医科大学 2021-06-04 CN disclosed