SCHEMBL28022392

SCHEMBL28022392

Nc1cc(C(F)(F)F)c(-c2ccccc2)c(S(=O)(=O)N2CCOCC2)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
GAA P10253 2/20 0.47
POLB P06746 1/20 0.47
ALDH1A1 P00352 2/20 0.45
GSTO1 P78417 1/20 0.43
CNR2 P34972 1/20 0.43
ALOX5AP P20292 4/20 0.42
FEN1 P39748 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PIK3CA P42336 1/20 0.41
LMNA P02545 1/20 0.40
TSHR P16473 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
SCHEMBL17394409 0.78 POLB (0.49) MEN1KMT2AGAAPOLB
SCHEMBL28159883 0.78 KMT2A (0.54) MEN1KMT2AGAAPOLBALDH1A1
SCHEMBL30150274 0.76 KMT2A (0.79) MEN1KMT2AGAAPOLBALDH1A1
SCHEMBL24512314 0.71 CNR2 (0.47) MEN1KMT2AGAAPOLBALDH1A1
SCHEMBL30899306 0.71 CNR2 (0.47) MEN1KMT2AGAAPOLBALDH1A1
SCHEMBL24512138 0.71 CNR2 (0.48) MEN1KMT2AGAAPOLBALDH1A1
SCHEMBL28160428 0.71 KMT2A (0.61) MEN1KMT2AGAAALDH1A1CNR2
SCHEMBL978033 0.69 ALOX5AP (0.59) MEN1KMT2AGAAPOLBALOX5AP
SCHEMBL3450810 0.69 LMNA (0.54) MEN1KMT2AALDH1A1ALOX5APFEN1
SCHEMBL24129913 0.69 ACHE (0.45) GAAPOLBL3MBTL1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105102449-A Antiviral compounds HOFFMANN LA ROCHE 2015-11-25 CN disclosed