SCHEMBL29514218

SCHEMBL29514218

[2H]C([2H])([2H])C(O)(Cn1nc(-c2ccc(F)cc2)cc1CO)C([2H])([2H])[2H]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 10/20 0.40
HDAC3 O15379 9/20 0.40
HDAC4 P56524 9/20 0.40
HDAC1 Q13547 9/20 0.40
HDAC7 Q8WUI4 9/20 0.40
HDAC2 Q92769 9/20 0.40
HDAC10 Q969S8 9/20 0.40
HDAC11 Q96DB2 9/20 0.40
HDAC8 Q9BY41 9/20 0.40
HDAC9 Q9UKV0 9/20 0.40
HDAC5 Q9UQL6 9/20 0.40
NCOR2 Q9Y618 4/20 0.40
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL29514294 0.84 GRM5 (0.34)
SCHEMBL25272777 0.75 HDAC6 (0.45) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL29050068 0.75 HDAC6 (0.45) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL2518490 0.74 HDAC6 (0.44) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL25277730 0.74 HDAC6 (0.52) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL29514295 0.73 HDAC6 (0.41) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL25229997 0.72 HDAC6 (0.42) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL29049990 0.71 HDAC6 (0.41) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL29050055 0.70 HDAC6 (0.38) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL5023766 0.70 KCNJ6 (0.40) HDAC6HDAC3HDAC4HDAC1HDAC7

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
EP-4214214-A1 CASEIN KINASE 1 DELTA MODULATORS JANSSEN Pharmaceutica NV (BE) 2023-07-26 EP disclosed
WO-2022058920-A1 CASEIN KINASE 1 DELTA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2022-03-24 WO disclosed