SCHEMBL3027844

SCHEMBL3027844

CCCC[n+]1ccn(C)c1.O=S(=O)([O-])c1ccc(C(F)(F)F)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.36
KDM4E B2RXH2 6/20 0.36
MAPT P10636 4/20 0.36
HTT P42858 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 2/20 0.36
RXFP1 Q9HBX9 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
BLM P54132 1/20 0.36
KMT2A Q03164 4/20 0.35
APAF1 O14727 3/20 0.35
LMNA P02545 1/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
ACHE P22303 2/20 0.34
CACNA1B Q00975 1/20 0.34
MEN1 O00255 3/20 0.34
PABPC1 P11940 1/20 0.34

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
SCHEMBL3031196 0.88 CA1 (0.35) ALDH1A1KDM4EMAPTHTTSMN1; SMN2
SCHEMBL4457299 0.85 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTHTTSMN1; SMN2
SCHEMBL2230706 0.85 KDM4E (0.47) ALDH1A1KDM4EMAPTHTTSMN1; SMN2
Trifluoromethanesulfonic Acid SCHEMBL192398 0.82 ACHE (0.40) ALDH1A1KDM4EMAPTHTTSMN1; SMN2
Trifluoromethanesulfonic Acid SCHEMBL28555818 0.81 ACHE (0.40) ALDH1A1KDM4EMAPTHTTSMN1; SMN2
SCHEMBL7463633 0.81 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTHTTSMN1; SMN2
SCHEMBL14720657 0.81 KDM4E (0.48) ALDH1A1KDM4EHTTHPGDKMT2A
SCHEMBL7462976 0.81 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTHTTSMN1; SMN2
SCHEMBL7195917 0.81 KDM4E (0.48) ALDH1A1KDM4EHTTHPGDKMT2A
SCHEMBL28365668 0.81 KDM4E (0.48) ALDH1A1KDM4EHTTHPGDKMT2A

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
US-8591757-B2 Electrolyte composition and ionic liquid KANEKA CORPORATION (JP) 2013-11-26 US disclosed
US-20100213402-A1 ELECTROLYTE COMPOSITION AND IONIC LIQUID KANEKA CORPORATION (JP) 2010-08-26 US disclosed