SCHEMBL2176123

SCHEMBL2176123

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

nearest known ligand 0.48

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 8)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.36
GLA P06280 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
EPHX2 P34913 1/20 0.36
BLM P54132 1/20 0.36
FUT7 Q11130 1/20 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
SCHEMBL6548567 0.94 RECQL (0.31) RECQLGLAHPGDTSHRMAPK1
SCHEMBL6862523 0.85 RECQL (0.54) RECQLGLAHPGDTSHRMAPK1
SCHEMBL18730600 0.83
Hydrochloric Acid SCHEMBL7755591 0.83 TSHR (0.31) TSHR
Iodide SCHEMBL1227461 0.83 TSHR (0.31) TSHR
Bromide SCHEMBL3192843 0.83 TSHR (0.31) TSHR
Fluoride SCHEMBL28439244 0.83 TSHR (0.31) TSHR
Iodide SCHEMBL29913225 0.83 TSHR (0.31) TSHR
Sulfuric Acid SCHEMBL28035926 0.82
SCHEMBL28653845 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2519471-A1 SYNTHESIS OF NANOPARTICLES BY MEANS OF IONIC LIQUIDS Leibniz-Institut für Neue Materialien gemeinnützige GmbH (DE) 2012-11-07 EP disclosed
WO-2011079908-A1 SYNTHESIS OF NANOPARTICLES BY MEANS OF IONIC LIQUIDS LEIBNIZ-INSTITUT FÜR NEUE MATERIALIEN GEMEINNÜTZIGE GMBH (DE) 2011-07-07 WO disclosed