SCHEMBL28889338

SCHEMBL28889338

O=C(NC(=S)NC1CCC1)C(c1cc(C(F)(F)F)ccn1)c1ccccc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
HDAC4 P56524 3/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GALR3 O60755 1/20 0.37
DHODH Q02127 1/20 0.37
HCRTR1 O43613 1/20 0.37
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PHGDH O43175 2/20 0.36
EPHX2 P34913 1/20 0.36

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
SCHEMBL28889177 0.96 HDAC4 (0.40) LMNAHDAC4HDAC3HDAC1HDAC7
SCHEMBL29941747 0.91 EPHX2 (0.41) LMNAHDAC4HDAC3HDAC1HDAC7
SCHEMBL29893626 0.90 LMNA (0.41) LMNAKMT2AMEN1NPSR1GALR3
SCHEMBL28889248 0.90 LMNA (0.41) LMNAKMT2AMEN1NPSR1GALR3
SCHEMBL29942164 0.87 HDAC4 (0.41) HDAC4HDAC3HDAC1HDAC7HDAC8
SCHEMBL28889330 0.86 ALDH1A1 (0.44) LMNAKMT2AMEN1NPSR1PHGDH
SCHEMBL28889234 0.86 PDE4B (0.38) LMNAKMT2ANPSR1HTTPHGDH
SCHEMBL29893652 0.86 PDE4B (0.38) LMNAKMT2ANPSR1HTTPHGDH
SCHEMBL29941803 0.85 HDAC4 (0.42) LMNAHDAC4HDAC3HDAC1HDAC7
SCHEMBL28889299 0.82 HDAC4 (0.40) LMNAHDAC4HDAC3HDAC1HDAC7

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