SCHEMBL28889299

SCHEMBL28889299

O=C(NC(=S)NCC(F)F)C(c1cc(C(F)(F)F)ccn1)c1ccccc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 8/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
ADRB2 P07550 1/20 0.38
GPR52 Q9Y2T5 1/20 0.36
HTT P42858 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAT2A P31153 1/20 0.33
P2RY1 P47900 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
SCHEMBL29941971 0.90 HDAC4 (0.41) HDAC4HDAC3HDAC1HDAC7HDAC8
SCHEMBL28889279 0.90 ADRB2 (0.40) ADRB2GPR52HTTMEN1LMNA
SCHEMBL28889374 0.87 ADRB2 (0.39) ADRB2GPR52HTTMEN1MAPT
SCHEMBL29893596 0.87 ADRB2 (0.39) ADRB2GPR52HTTMEN1MAPT
SCHEMBL29941803 0.86 HDAC4 (0.42) HDAC4HDAC3HDAC1HDAC7HDAC8
SCHEMBL28889177 0.83 HDAC4 (0.40) HDAC4HDAC3HDAC1HDAC7HDAC8
SCHEMBL28889338 0.82 LMNA (0.41) HDAC4HDAC3HDAC1HDAC7HDAC8
SCHEMBL29942075 0.80 ADRB2 (0.42) ADRB2GPR52HTTMEN1MAPT
SCHEMBL28889178 0.80 HDAC4 (0.43) HDAC4HDAC3HDAC1HDAC7HDAC8
SCHEMBL28889200 0.80 ADRB2 (0.41) ADRB2HTTMEN1LMNAMAPT

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