SCHEMBL6548567

SCHEMBL6548567

CCCC[N+]1(C)C=CN=C1.COS(=O)(=O)[O-]

nearest known ligand 0.43

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 7)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.31
GLA P06280 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
EPHX2 P34913 1/20 0.31
BLM P54132 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
SCHEMBL2176123 0.94 RECQL (0.36) RECQLGLAHPGDTSHRMAPK1
SCHEMBL18730600 0.89
Sulfuric Acid SCHEMBL28035926 0.88
SCHEMBL5855882 0.85 BBOX1 (0.31)
SCHEMBL6862523 0.85 RECQL (0.54) RECQLGLAHPGDTSHRMAPK1
SCHEMBL28653845 0.84
Sulfuric Acid SCHEMBL28850290 0.84 TP53 (0.31)
Phosphoric Acid SCHEMBL14164746 0.82 CDC25A (0.31)
Iodide SCHEMBL412001 0.82
Bromide SCHEMBL14485290 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2776485-A1 CURABLE COMPOSITIONS Dow Global Technologies LLC (US) 2014-09-17 EP disclosed
WO-2013070393-A1 CURABLE COMPOSITIONS DOW GLOBAL TECHNOLOGIES LLC (US) 2013-05-16 WO disclosed
EP-1480956-A1 HALOGEN-FREE IONIC LIQUIDS Solvent Innovation GmbH (DE) 2004-12-01 EP disclosed
EP-1425268-A1 ORGANIC SULFATES AS IONIC LIQUIDS Solvent Innovation GmbH (DE) 2004-06-09 EP disclosed
WO-2003074494-A1 HALOGEN-FREE IONIC LIQUIDS SOLVENT INNOVATION GMBH (DE) 2003-09-12 WO disclosed
WO-2003022812-A1 ORGANIC SULFATES AS IONIC LIQUIDS SOLVENT INNOVATION GMBH (DE) 2003-03-20 WO disclosed