SCHEMBL28040872

SCHEMBL28040872

O=S(=O)(O)c1ccccc1S(=O)(=O)Oc1cccc2ccccc12.[NaH]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
GAA P10253 3/20 0.50
MEN1 O00255 3/20 0.50
ESR1 P03372 2/20 0.50
ESR2 Q92731 2/20 0.50
HTR6 P50406 1/20 0.43
ALDH1A1 P00352 3/20 0.43
HSD17B10 Q99714 3/20 0.43
PGR P06401 1/20 0.43
PTGS1 P23219 1/20 0.43
MAPK1 P28482 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
F2 P00734 3/20 0.40
PRSS1 P07477 3/20 0.40
PRSS2 P07478 3/20 0.40

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
SCHEMBL11577305 0.87 HTR6 (0.53) KMT2AGAAMEN1ESR1ESR2
SCHEMBL6099899 0.85 HTR6 (0.54) KMT2AGAAMEN1ESR1ESR2
Formaldehyde SCHEMBL29278572 0.82 HTR6 (0.52) KMT2AGAAMEN1ESR1ESR2
SCHEMBL1548998 0.79 MEN1 (0.71) KMT2AGAAMEN1ESR1ESR2
SCHEMBL27549561 0.79 MEN1 (0.48) KMT2AGAAMEN1ESR1ESR2
SCHEMBL275479 0.78 SLC22A6 (0.51) KMT2AGAAMEN1ALDH1A1HSD17B10
SCHEMBL197950 0.77 CA1 (0.61) KMT2AMEN1HTR6ALDH1A1HSD17B10
SCHEMBL6806937 0.77 CA1 (0.61) KMT2AMEN1HTR6ALDH1A1HSD17B10
SCHEMBL10881406 0.77 KMT2A (0.59) KMT2AGAAMEN1ESR1ESR2
SCHEMBL28862825 0.77 ALDH1A1 (0.45) KMT2AGAAMEN1ALDH1A1HSD17B10

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-104995096-A Multi-layer bottle and method for producing same MITSUBISHI GAS CHEMICAL CO 2015-10-21 CN disclosed