SCHEMBL28055692

SCHEMBL28055692

O=S(O)S(=O)Oc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.38
LTA4H P09960 2/20 0.38
TSHR P16473 1/20 0.38
ALOX15 P16050 2/20 0.37
CA5A P35218 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
CA4 P22748 1/20 0.35
NR1H2 P55055 1/20 0.34
BAX Q07812 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
ALDH1A1 P00352 1/20 0.33
RECQL P46063 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
ATM Q13315 1/20 0.33
PARP10 Q53GL7 1/20 0.33

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
SCHEMBL496889 0.80 LTA4H (0.41) SRCLTA4HTSHRALOX15CA5A
SCHEMBL27676848 0.78 SRC (0.39) SRCLTA4HTSHRALOX15CA5A
Ethylene SCHEMBL13684779 0.76 SRC (0.38) SRCLTA4HTSHRALOX15CA5A
SCHEMBL775482 0.74 LTA4H (0.45) SRCLTA4HTSHRALOX15CA5A
Phenol SCHEMBL27470914 0.73 TDP1 (0.48) SRCLTA4HTSHRALOX15CA5A
Diphenylether SCHEMBL1410911 0.72 LTA4H (0.67) LTA4HTSHRNR1H2BAXCA1
SCHEMBL27729621 0.71 ALOX15 (0.41) SRCLTA4HTSHRALOX15CA5A
Acetone SCHEMBL27793897 0.71 MTNR1A (0.38) SRCTSHRALOX15CA4L3MBTL1
SCHEMBL29524127 0.70 LTA4H (0.41) SRCLTA4HTSHRALOX15CA5A
SCHEMBL5846748 0.70 LTA4H (0.41) SRCLTA4HTSHRALOX15CA5A

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-105431555-A Compositions and methods for bisulfite converted sequence capture HOFFMANN LA ROCHE 2016-03-23 CN disclosed