SCHEMBL28639673

SCHEMBL28639673

NC(=O)c1c(F)cccc1NCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.54
HDAC1 Q13547 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HSD17B10 Q99714 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
TDP1 Q9NUW8 1/20 0.45
CD38 P28907 1/20 0.45
RPS6KB1 P23443 4/20 0.45
CDC7 O00311 1/20 0.45
ROCK2 O75116 1/20 0.45
MAP4K4 O95819 1/20 0.45
GSK3B P49841 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45
AURKA O14965 1/20 0.44
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
TYK2 P29597 1/20 0.44

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
SCHEMBL6269267 0.90 PLK1 (0.53) PLK1HDAC1RAB9ARPS6KB1CDC7
SCHEMBL12427631 0.88 PLK1 (0.67) PLK1HDAC1HDAC8HDAC6HSD17B10
SCHEMBL6603904 0.80 PLK1 (0.59) PLK1HDAC1HDAC8HDAC6HSD17B10
SCHEMBL28639588 0.80 AURKA (0.56) PLK1NPC1RAB9ATDP1CD38
SCHEMBL5263528 0.80 PLK1 (0.45) PLK1NPC1RAB9ACD38MKNK2
SCHEMBL30311518 0.77 HSD17B10 (0.63) PLK1HDAC1HDAC8HDAC6HSD17B10
SCHEMBL2754257 0.77 HSD17B10 (0.63) PLK1HDAC1HDAC8HDAC6HSD17B10
SCHEMBL1715550 0.77 PLK1 (0.62) PLK1HSD17B10JAK2JAK1TYK2
SCHEMBL4982611 0.76 HSD17B10 (0.59) HDAC1HDAC8HDAC6HSD17B10NPC1
SCHEMBL4529804 0.76 BACE1 (0.51) PLK1HDAC1HDAC8HDAC6HSD17B10

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-113563272-B Preparation method of 2-phenylquinazolinone compound 三峡大学 2023-03-10 CN disclosed
CN-113563272-A Preparation method of 2-phenylquinazolinone compound 三峡大学 2021-10-29 CN disclosed