SCHEMBL28889293

SCHEMBL28889293

NC(=O)C(c1cc(C2CC2)ccn1)c1ccccc1F

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 11/20 0.41
DHODH Q02127 2/20 0.35
LNPEP Q9UIQ6 1/20 0.34
GAA P10253 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
PRKCI P41743 1/20 0.33
AOC3 Q16853 1/20 0.33
NR3C2 P08235 1/20 0.33
TP53 P04637 1/20 0.32

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
SCHEMBL28889272 0.85 OPRL1 (0.38) DHODHLNPEP
SCHEMBL29941833 0.81 HDAC4 (0.41) HDAC4DHODHHDAC3HDAC7HDAC8
SCHEMBL30637660 0.80 HDAC4 (0.41) HDAC4GAAHDAC3HDAC7HDAC8
SCHEMBL28889296 0.80 HDAC4 (0.40) HDAC4DHODHHDAC3HDAC7HDAC8
SCHEMBL28889263 0.79 HDAC4 (0.41) HDAC4GAAHDAC3HDAC7HDAC8
SCHEMBL28889192 0.78 HDAC4 (0.39) HDAC4DHODHHDAC3HDAC7HDAC8
SCHEMBL28959168 0.78 HDAC4 (0.44) HDAC4GAAHDAC3HDAC7HDAC8
SCHEMBL29942045 0.77 HDAC4 (0.46) HDAC4GAAHDAC3HDAC7HDAC8
SCHEMBL28889317 0.76 ALDH1A1 (0.40) HDAC4DHODHGAA
SCHEMBL17316873 0.70 HDAC4 (0.49) HDAC4GAAHDAC3HDAC7HDAC8

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
WO-2022222911-A1 PYRIMIDONE COMPOUND AND USE THEREOF 武汉人福创新药物研发中心有限公司 2022-10-27 WO disclosed
CN-115215862-A Pyrimidone compounds and uses thereof 武汉人福创新药物研发中心有限公司 2022-10-21 CN disclosed