SCHEMBL3016928

SCHEMBL3016928

CC(OS(=O)(=O)C(F)(F)F)c1nccn1C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 2/20 0.39
CYP2D6 P10635 1/20 0.35
MAPT P10636 2/20 0.34
TSHR P16473 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
PKM P14618 1/20 0.34
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
FFAR1 O14842 3/20 0.32
MCL1 Q07820 1/20 0.32
LPO P22079 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 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
SCHEMBL3018816 0.81 KDM4E (0.39) KMT2AKDM4ECYP2D6MAPTTSHR
Trifluoromethanesulfonic Acid SCHEMBL16699953 0.79 KMT2A (0.42) KMT2AKDM4ECYP2D6MAPTTSHR
SCHEMBL30976157 0.77 KMT2A (0.38) KMT2AKDM4EMAPTTSHRALDH1A1
Trifluoroacetic Acid SCHEMBL16700796 0.75 KMT2A (0.49) KMT2AKDM4ECYP2D6MAPTTSHR
SCHEMBL30976247 0.74 L3MBTL1 (0.37) KMT2AKDM4EL3MBTL1MCL1
Trifluoromethanesulfonic Acid SCHEMBL27778942 0.74 KDM4E (0.43) KMT2AKDM4ECYP2D6MAPTTSHR
Trifluoromethanesulfonic Acid SCHEMBL28615004 0.74 KMT2A (0.45) KMT2AKDM4ECYP2D6MAPTTSHR
SCHEMBL3012029 0.73 KMT2A (0.50) KMT2AKDM4ECYP2D6MAPTTSHR
SCHEMBL27713110 0.72 KDM4E (0.41) KMT2AKDM4ECYP2D6MAPTTSHR
Trifluoroacetic Acid SCHEMBL16700950 0.71 KMT2A (0.46) KMT2AKDM4ECYP2D6MAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362095-B2 Defoaming of ionic liquids EVONIK GOLDSCHMIDT GMBH (DE) 2013-01-29 US disclosed
US-20100192814-A1 PROCESS FOR PRODUCING ANTISTATICALLY TREATED ARTIFICIAL STONE FOR FLAT STRUCTURES EVONIK GOLDSCHMIDT GMBH (DE) 2010-08-05 US disclosed
US-20100084597-A1 DEFOAMING OF IONIC LIQUIDS EVONIK DEGUSSA GMBH (DE) 2010-04-08 US disclosed
US-20100029519-A1 PERFORMANCE ADDITIVES FOR IMPROVING THE WETTING PROPERTIES OF IONIC LIQUIDS ON SOLID SURFACES EVONIK DEGUSSA GMBH (DE) 2010-02-04 US disclosed