SCHEMBL31473552

SCHEMBL31473552

CNC(=O)c1cc(C)c(F)cc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
CFTR P13569 2/20 0.41
HDAC1 Q13547 8/20 0.39
BRAF P15056 4/20 0.39
HDAC6 Q9UBN7 6/20 0.39
CYP1A2 P05177 1/20 0.37
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
MTOR P42345 2/20 0.36
PIK3CA P42336 1/20 0.36
HDAC3 O15379 2/20 0.35
HDAC4 P56524 2/20 0.35
HDAC7 Q8WUI4 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC10 Q969S8 2/20 0.35
HDAC11 Q96DB2 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC9 Q9UKV0 2/20 0.35
HDAC5 Q9UQL6 2/20 0.35
IKBKB O14920 1/20 0.35

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
SCHEMBL1203927 0.87 GAA (0.50) GAACFTRHDAC1BRAFHDAC6
SCHEMBL23948693 0.86 GAA (0.46) GAACFTRHDAC1BRAFHDAC6
SCHEMBL29501882 0.86 GAA (0.46) GAACFTRHDAC1BRAFHDAC6
SCHEMBL15284424 0.81 GAA (0.44) GAACFTRHDAC1BRAFHDAC6
SCHEMBL13573414 0.80 HDAC1 (0.35) HDAC1HDAC6CYP1A2MTOR
SCHEMBL3530679 0.79 KEAP1 (0.50) GAA
SCHEMBL5951820 0.79 DGAT1 (0.40) HDAC1HDAC6CYP1A2IKBKBMAP2K2
SCHEMBL12506962 0.79 GAA (0.50) GAAHDAC1HDAC6MAP2K2MAP2K1
SCHEMBL15939166 0.79 GAA (0.46) GAACFTRHDAC1BRAFHDAC6
SCHEMBL31080125 0.79 GAA (0.46) GAACFTRHDAC1BRAFHDAC6

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-119744260-A Benzopyrimidin-4 (3H) -ones as PI3K inhibitors 恩库勒公司 2025-04-01 CN disclosed