SCHEMBL1289956

SCHEMBL1289956

O=C(O)NCC(=O)NCC(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 2/20 0.36
KDM4E B2RXH2 5/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.32
ATM Q13315 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 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
SCHEMBL967611 0.83
SCHEMBL22616333 0.81 LMNA (0.38) LMNASMN1; SMN2POLBKDM4EGAA
SCHEMBL19114273 0.80 LMNA (0.36) LMNASMN1; SMN2POLBKDM4EGAA
SCHEMBL15200246 0.80 KDM4E (0.42) LMNASMN1; SMN2POLBKDM4EGAA
SCHEMBL24989267 0.79 LMNA (0.37) LMNASMN1; SMN2POLBKDM4EGAA
SCHEMBL19457506 0.78 MEN1 (0.41) LMNAPOLBKDM4EGAAL3MBTL1
SCHEMBL5072771 0.78 KDM4E (0.38) LMNASMN1; SMN2POLBKDM4EGAA
Methyl Alcohol SCHEMBL28096911 0.78 CYP2D6 (0.39) LMNASMN1; SMN2POLBKDM4EGAA
SCHEMBL678153 0.77 LMNA (0.40) LMNASMN1; SMN2POLBKDM4EGAA
SCHEMBL20763636 0.77 LMNA (0.36) LMNASMN1; SMN2POLBKDM4EGAA

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
CN-103124721-B Method for preparing 2-amino-n-(2,2,2-trifluoroethyl) acetamide DU PONT 2015-06-03 CN disclosed
EP-2621894-A1 METHOD FOR PREPARING 2-AMINO-N-(2,2,2-TRIFLUOROETHYL) ACETAMIDE E.I. Du Pont De Nemours And Company (US) 2013-08-07 EP disclosed
CN-103124721-A Method for preparing 2-amino-n-(2,2,2-trifluoroethyl) acetamide DU PONT 2013-05-29 CN disclosed
WO-2012047543-A1 METHOD FOR PREPARING 2-AMINO-N-(2,2,2-TRIFLUOROETHYL) ACETAMIDE E.I. DU PONT DE NEMOURS AND COMPANY (US) 2012-04-12 WO disclosed