SCHEMBL28997259

SCHEMBL28997259

C=CCCC(=O)Nc1ccccc1Br

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.56
LMNA P02545 2/20 0.56
NPC1 O15118 2/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
KMT2A Q03164 7/20 0.50
MEN1 O00255 5/20 0.50
ALDH1A1 P00352 4/20 0.50
POLB P06746 3/20 0.50
MAPK1 P28482 1/20 0.50
GRK2 P25098 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
NAMPT P43490 1/20 0.47
HTT P42858 1/20 0.46

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
SCHEMBL21442788 0.81 HDAC1 (0.66)
SCHEMBL30226017 0.81 HDAC3 (0.60) RAB9ALMNANPC1L3MBTL1ALDH1A1
SCHEMBL26623814 0.81 HDAC3 (0.60) RAB9ALMNANPC1L3MBTL1ALDH1A1
SCHEMBL24811439 0.80 RAB9A (0.62) RAB9ALMNANPC1L3MBTL1KMT2A
SCHEMBL10690890 0.79 HDAC3 (0.49) NPC1KMT2AMEN1ALDH1A1POLB
SCHEMBL31718141 0.79 KMT2A (0.56) RAB9ALMNANPC1L3MBTL1KMT2A
SCHEMBL29005918 0.78 CETP (0.52) LMNAL3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL21483552 0.78 RAB9A (0.60) RAB9ALMNANPC1L3MBTL1KMT2A
SCHEMBL28063097 0.78 MAPK1 (0.67) RAB9ALMNAL3MBTL1KMT2AMEN1
SCHEMBL23060403 0.77 GAA (0.63) LMNAL3MBTL1KMT2AMEN1ALDH1A1

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-115894323-A Method for self-cyclizing cyanation of enaminoaniline compound 湖北工业大学 2023-04-04 CN claimed
CN-116621723-B Method for oxidizing non-activated end group olefin into secondary alcohol 江苏科技大学 2024-10-18 CN disclosed
CN-116621723-A Method for oxidizing non-activated end group olefin into secondary alcohol 江苏科技大学 2023-08-22 CN disclosed
CN-115894323-A Method for self-cyclizing cyanation of enaminoaniline compound 湖北工业大学 2023-04-04 CN disclosed