SCHEMBL3881682

SCHEMBL3881682

COS(=O)(=O)O.COS(=O)(=O)[O-].C[n+]1ccccc1

nearest known ligand 0.36

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM1 known ✓ P11229 1/20 0.30
CHRM3 known ✓ P20309 1/20 0.30
LMNA P02545 1/20 0.36
PSMD14 O00487 1/20 0.34
RAD52 P43351 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
USP2 O75604 1/20 0.32
HTR1A P08908 1/20 0.31
MAOA P21397 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
ADRA1A P35348 1/20 0.31
SLC6A3 Q01959 1/20 0.31
KCNH2 Q12809 1/20 0.31
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30

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
SCHEMBL398916 0.92 RAD52 (0.37) LMNAPSMD14RAD52NPSR1USP2
SCHEMBL28349758 0.92 RAD52 (0.37) LMNAPSMD14RAD52NPSR1USP2
SCHEMBL398917 0.92 HDAC8 (0.33) LMNAUSP2SLC6A4
Sulfuric Acid SCHEMBL1745561 0.83 MEN1 (0.40) USP2SLC6A4
Sulfuric Acid SCHEMBL1745559 0.78 USP2 (0.37) LMNANPSR1USP2SLC6A4
Sulfuric Acid SCHEMBL1745560 0.78 HDAC8 (0.39) LMNAUSP2SLC6A4
SCHEMBL1568886 0.75 HDAC8 (0.37) LMNAUSP2SLC6A4
SCHEMBL1005223 0.75 USP2 (0.35) NPSR1USP2SLC6A4
Sulfuric Acid SCHEMBL7741793 0.75 USP2 (0.35) LMNANPSR1USP2SLC6A4
SCHEMBL28235863 0.75 TSHR (0.47) USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2010135-A1 USE FOR THE DYEING WITH LIGHTENING EFFECT OF KERATIN SUBSTANCES OF A COMPOSITION COMPRISING A FLUORESCENT CYANINE DYE L'Oréal (FR) 2009-01-07 EP claimed
WO-2007080183-A1 USE FOR THE DYEING WITH LIGHTENING EFFECT OF KERATIN SUBSTANCES OF A COMPOSITION COMPRISING A FLUORESCENT CYANINE DYE L'ORÉAL (FR) 2007-07-19 WO claimed
EP-2010135-A1 USE FOR THE DYEING WITH LIGHTENING EFFECT OF KERATIN SUBSTANCES OF A COMPOSITION COMPRISING A FLUORESCENT CYANINE DYE L'Oréal (FR) 2009-01-07 EP disclosed
WO-2007080183-A1 USE FOR THE DYEING WITH LIGHTENING EFFECT OF KERATIN SUBSTANCES OF A COMPOSITION COMPRISING A FLUORESCENT CYANINE DYE L'ORÉAL (FR) 2007-07-19 WO disclosed