SCHEMBL2760923

SCHEMBL2760923

CCCCCCCCOS(=O)(=O)[O-].CCCCNC(=O)c1ccc[n+](CCCC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
HSP90AA1 P07900 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
BLM P54132 2/20 0.47
RAD52 P43351 1/20 0.47
APAF1 O14727 1/20 0.47
USP2 O75604 1/20 0.47
ALDH1A1 P00352 1/20 0.47
XBP1 P17861 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
NAAA Q02083 2/20 0.46
CA2 P00918 1/20 0.44
RECQL P46063 2/20 0.43
GLA P06280 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
EPHX2 P34913 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL6906809 0.83 NAAA (0.62) LMNAHSP90AA1SMN1; SMN2BLMRAD52
SCHEMBL2761500 0.83 LMNA (0.48) LMNAHSP90AA1SMN1; SMN2BLMRAD52
Bromide SCHEMBL6910675 0.82 HSP90AA1 (0.63) LMNAHSP90AA1SMN1; SMN2BLMRAD52
SCHEMBL1416500 0.75 RECQL (0.62) LMNAHSP90AA1SMN1; SMN2BLMRAD52
SCHEMBL1416644 0.75 RECQL (0.62) LMNAHSP90AA1SMN1; SMN2BLMRAD52
Cetylpyridinium SCHEMBL6816053 0.73 RECQL (0.62) LMNAHSP90AA1SMN1; SMN2BLMRAD52
Bromide SCHEMBL11256908 0.71 NAAA (0.63) LMNASMN1; SMN2USP2ALDH1A1NAAA
SCHEMBL26184983 0.71 LMNA (0.61) LMNAHSP90AA1SMN1; SMN2BLMRAD52
Hydrochloric Acid SCHEMBL20548536 0.71 RECQL (0.63) LMNAHSP90AA1SMN1; SMN2BLMRAD52
Cetylpyridinium SCHEMBL31012333 0.71 RECQL (0.63) LMNAHSP90AA1SMN1; SMN2BLMRAD52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9555394-B2 Method of making ionic liquid mediated sol-gel sorbents UNIVERSITY OF SOUTH FLORIDA (US) 2017-01-31 US disclosed
US-20140057048-A1 METHOD OF MAKING IONIC LIQUID MEDIATED SOL-GEL SORBENTS UNIVERSITY OF SOUTH FLORIDA (US) 2014-02-27 US disclosed
US-8623279-B2 Ionic liquid mediated sol-gel sorbents UNIVERSITY OF SOUTH FLORIDA (US) 2014-01-07 US disclosed
US-20120128551-A1 IONIC LIQUID MEDIATED SOL-GEL SORBENTS UNIVERSITY OF SOUTH FLORIDA (US) 2012-05-24 US disclosed
WO-2010135660-A2 IONIC LIQUID MEDIATED SOL-GEL SORBENTS UNIVERSITY OF SOUTH FLORIDA (US) 2010-11-25 WO disclosed