SCHEMBL28518484

SCHEMBL28518484

COc1ccccc1NC(=O)CC(F)(F)F

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.71
L3MBTL1 Q9Y468 1/20 0.71
ALDH1A1 P00352 4/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
POLB P06746 2/20 0.60
PDK1 Q15118 1/20 0.58
PDK2 Q15119 1/20 0.58
PDK3 Q15120 1/20 0.58
PDK4 Q16654 1/20 0.58
LMNA P02545 2/20 0.57
MAPT P10636 2/20 0.57
HSD17B10 Q99714 1/20 0.57
USP2 O75604 1/20 0.57
TSHR P16473 1/20 0.57
HTT P42858 1/20 0.56
HDAC3 O15379 1/20 0.56
HDAC4 P56524 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56

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
SCHEMBL10255090 0.86 GLA (0.64) GLAL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL14899353 0.83 ALDH1A1 (0.67) L3MBTL1ALDH1A1MEN1KMT2APOLB
SCHEMBL2007035 0.83 MEN1 (0.76) ALDH1A1MEN1KMT2APOLBLMNA
SCHEMBL24715738 0.83 MEN1 (0.62) GLAL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL11372428 0.82 ALDH1A1 (0.65) GLAL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL31512566 0.81 ALDH1A1 (0.63) GLAL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL4593391 0.81 MAPT (0.73) ALDH1A1MEN1KMT2APOLBLMNA
SCHEMBL4780753 0.80 SMN1; SMN2 (0.72) ALDH1A1MEN1KMT2APOLBLMNA
SCHEMBL13233264 0.80 ALDH1A1 (0.67) GLAL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL9191016 0.79 ALDH1A1 (0.65) L3MBTL1ALDH1A1MEN1KMT2APOLB

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
CN-112341368-B Method for synthesizing alpha-fluorinated thioacrylamide derivative 温州大学 2022-04-29 CN disclosed
CN-112341368-A Method for synthesizing alpha-fluorinated thioacrylamide derivative 温州大学 2021-02-09 CN disclosed