SCHEMBL28889192

SCHEMBL28889192

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

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 12/20 0.39
HDAC3 O15379 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
DHODH Q02127 2/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPK14 Q16539 1/20 0.31

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
SCHEMBL28889296 0.92 HDAC4 (0.40) HDAC4HDAC3HDAC7HDAC8HDAC6
SCHEMBL29941833 0.86 HDAC4 (0.41) HDAC4HDAC3HDAC7HDAC8HDAC6
SCHEMBL28889244 0.80 IDO1 (0.35) DHODHMEN1KMT2A
SCHEMBL28889293 0.78 HDAC4 (0.41) HDAC4HDAC3HDAC7HDAC8HDAC6
SCHEMBL28889218 0.74 HDAC4 (0.38) HDAC4HDAC3HDAC7HDAC8HDAC6
SCHEMBL28889243 0.74 OPRM1 (0.36) DHODHMAPK14
SCHEMBL29941803 0.74 HDAC4 (0.42) HDAC4HDAC3HDAC7HDAC8HDAC6
SCHEMBL28889177 0.74 HDAC4 (0.40) HDAC4HDAC3HDAC7HDAC8HDAC6
SCHEMBL28889338 0.72 LMNA (0.41) HDAC4HDAC3HDAC7HDAC8HDAC6
SCHEMBL28889317 0.68 ALDH1A1 (0.40) HDAC4DHODHMEN1KMT2A

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-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