SCHEMBL2242776

SCHEMBL2242776

C[N+](C)(C)CCS.C[N+](C)(C)CCS

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
APEX1 P27695 3/20 0.44
ACHE P22303 3/20 0.44
LMNA P02545 3/20 0.44
NFKB1 P19838 2/20 0.44
KDM4E B2RXH2 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
PMP22 Q01453 2/20 0.44
HSD17B10 Q99714 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
TSHR P16473 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.41
CYP3A4 P08684 1/20 0.39
SLC5A7 Q9GZV3 1/20 0.39
DNM1 Q05193 6/20 0.35
BBOX1 O75936 1/20 0.32
APAF1 O14727 1/20 0.32
HSP90AA1 P07900 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
SCHEMBL135464 1.00
Hydrochloric Acid SCHEMBL8637617 0.96
Hydrochloric Acid SCHEMBL1276637 0.96
Bromide SCHEMBL1331981 0.96
SCHEMBL15328335 0.96
Water SCHEMBL16322154 0.96
Iodide SCHEMBL3145923 0.96
Iodide SCHEMBL27794551 0.93
Iodide SCHEMBL2387454 0.93 MEN1 (0.39) MEN1KMT2AAPEX1ACHELMNA
Iodide SCHEMBL27794549 0.89 MEN1 (0.37) MEN1KMT2AAPEX1ACHELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003409-B2 Semiconductor nanoparticle fluorescent reagent and fluorescence determination method HITACHI SOFTWARE ENGINEERING CO., LTD. (JP) 2011-08-23 US disclosed
EP-1653971-A2 TREATMENT OF SLEEP DISORDERS WITH CHOLINESTERASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-10 EP disclosed
WO-2005016327-A2 TREATMENT OF SLEEP DISORDERS WITH CHOLINESTERASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-02-24 WO disclosed
EP-0918523-A1 TREATMENT OF ARTHRITIS DISORDERS, RHEUMATOID ARTHRITIS AND MANIFESTATIONS ASSOCIATED WITH RHEUMATOID DISORDERS Snorrason, Ernir (IS) 1999-06-02 EP disclosed
EP-0584285-B1 TREATMENT OF SCHIZOPHRENIA BY CHOLINESTERASE INHIBITORS SNORRASON ERNIR (IS) 1999-04-14 EP disclosed
EP-0660926-A1 ELECTROPHORETICALLY MEDIATED CHEMICAL ANALYSIS PURDUE RESEARCH FOUNDATION (US) 1995-07-05 EP disclosed
WO-1994007132-A1 ELECTROPHORETICALLY MEDIATED CHEMICAL ANALYSIS PURDUE RESEARCH FOUNDATION (US) 1994-03-31 WO disclosed