SCHEMBL28699692

SCHEMBL28699692

CCS(=O)(=O)NCCS(=O)(=O)O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP2D6 P10635 1/20 0.41
PTGS1 P23219 1/20 0.36
PDE4A P27815 1/20 0.36
LMNA P02545 1/20 0.36
SLC6A6 P31641 1/20 0.36
CYP2C19 P33261 1/20 0.36
BLM P54132 1/20 0.36
CA1 P00915 3/20 0.35
CA2 P00918 2/20 0.34
RELA Q04206 4/20 0.34
PTGES O14684 1/20 0.34
APP P05067 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CNR2 P34972 1/20 0.33
EPHX2 P34913 1/20 0.33
MAPT P10636 1/20 0.33
PPARA Q07869 2/20 0.32

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
SCHEMBL6603673 0.86 MEN1 (0.47) MEN1KMT2ACA1CA2RELA
SCHEMBL9665524 0.78 CA1 (0.45) MEN1KMT2ALMNACYP2C19CA1
SCHEMBL10055138 0.77 CYP2D6 (0.42) KMT2ACYP2D6PTGS1PDE4ALMNA
SCHEMBL29631557 0.76 LMNA (0.56) CYP2D6PTGS1PDE4ALMNASLC6A6
SCHEMBL10653038 0.76 CYP2D6 (0.45) CYP2D6PTGS1PDE4ALMNASLC6A6
SCHEMBL21886598 0.75 CA1 (0.39) MEN1KMT2ALMNACA1CA2
SCHEMBL607318 0.74
SCHEMBL1050009 0.74
Sulfuric Acid SCHEMBL28705504 0.73 CA2 (0.57) MEN1KMT2ACA1CA2RELA
SCHEMBL9608589 0.73 CA2 (0.52) MEN1KMT2ACA1CA2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114085546-B Reactive dye for red wool, preparation method thereof and dye liquid 湖北丽源科技股份有限公司 2023-12-19 CN disclosed
CN-114085546-A Reactive dye for red wool, preparation method thereof and dye solution 湖北丽源科技股份有限公司 2022-02-25 CN disclosed