SCHEMBL28085546

SCHEMBL28085546

O=S(=O)(O)CCS(=O)(=O)OS(=O)(=O)CCO

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.36
BLM P54132 2/20 0.36
PTGS1 P23219 1/20 0.36
PDE4A P27815 1/20 0.36
SLC6A6 P31641 1/20 0.36
CYP2C19 P33261 1/20 0.36
APP P05067 1/20 0.33
ALDH1A1 P00352 2/20 0.31
POLB P06746 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
BRCA1 P38398 1/20 0.31
HTT P42858 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GMNN O75496 1/20 0.31
PKM P14618 1/20 0.31
THPO P40225 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
SCHEMBL27433717 0.89 PTGS1 (0.43) LMNABLMPTGS1PDE4ASLC6A6
SCHEMBL575979 0.89 PTGS1 (0.43) LMNABLMPTGS1PDE4ASLC6A6
SCHEMBL9225822 0.87 CA2 (0.31)
SCHEMBL2701823 0.80 APP (0.44) LMNABLMPTGS1PDE4ASLC6A6
SCHEMBL3399207 0.79 CA2 (0.33)
SCHEMBL17239108 0.78 LMNA (0.47) LMNABLMPTGS1PDE4ASLC6A6
SCHEMBL970747 0.77
SCHEMBL9526347 0.75 PTGS1 (0.36) LMNABLMPTGS1PDE4ASLC6A6
SCHEMBL524165 0.75 LMNA (0.36) LMNABLMPTGS1PDE4ASLC6A6
SCHEMBL249947 0.74 LMNA (0.50) LMNABLMPTGS1PDE4ASLC6A6

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-102947305-B Compounds and methods for kinase modulation and indications therefor 普莱希科公司 2016-07-06 CN disclosed