SCHEMBL3012029

SCHEMBL3012029

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.37
ALOX15 P16050 2/20 0.37
HSD17B10 Q99714 2/20 0.37
TSHR P16473 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37
ALOX12 P18054 1/20 0.37
CYP2D6 P10635 1/20 0.35
FFAR1 O14842 3/20 0.34
FPR2 P25090 2/20 0.33
MLYCD O95822 1/20 0.33
MEN1 O00255 1/20 0.33
FGB P02675 1/20 0.33
TNNI3 P19429 1/20 0.33

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
SCHEMBL2998187 0.82 KMT2A (0.46) KMT2AL3MBTL1SMN1; SMN2KDM4EMAPT
SCHEMBL3014365 0.81 KMT2A (0.45) KMT2AL3MBTL1SMN1; SMN2KDM4EMAPT
Trifluoroacetic Acid SCHEMBL16700796 0.81 KMT2A (0.49) KMT2AL3MBTL1SMN1; SMN2KDM4EMAPT
SCHEMBL3002756 0.78 L3MBTL1 (0.44) KMT2AL3MBTL1SMN1; SMN2KDM4EMAPT
SCHEMBL3012735 0.78 L3MBTL1 (0.44) KMT2AL3MBTL1SMN1; SMN2KDM4EMAPT
Trifluoroacetic Acid SCHEMBL16700950 0.77 KMT2A (0.46) KMT2AL3MBTL1SMN1; SMN2KDM4EMAPT
SCHEMBL3012042 0.77 L3MBTL1 (0.43) KMT2AL3MBTL1SMN1; SMN2KDM4EMAPT
Trifluoroacetic Acid SCHEMBL27774295 0.75 KMT2A (0.49) KMT2AL3MBTL1SMN1; SMN2KDM4EMAPT
Trifluoromethanesulfonic Acid SCHEMBL16699953 0.74 KMT2A (0.42) KMT2AL3MBTL1SMN1; SMN2KDM4EMAPT
SCHEMBL3016928 0.73 KMT2A (0.44) KMT2AL3MBTL1SMN1; SMN2KDM4EMAPT

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