SCHEMBL21496789

SCHEMBL21496789

CC1(C)c2cccc(C(N)=O)c2CN1c1nc2ccc(C(F)(F)F)cc2[nH]1

nearest known ligand 0.80

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC11 Q96DB2 9/20 0.80
HDAC8 Q9BY41 2/20 0.80
NPY5R Q15761 1/20 0.44
EGLN1 Q9GZT9 1/20 0.43
HCRTR1 O43613 2/20 0.41
HCRTR2 O43614 2/20 0.41
HRH4 Q9H3N8 1/20 0.41

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
SCHEMBL20132855 0.89 HDAC11 (1.00) HDAC11HDAC8NPY5R
SCHEMBL30468600 0.89 HDAC11 (1.00) HDAC11HDAC8NPY5R
SCHEMBL21496730 0.89 HDAC11 (0.81) HDAC11HDAC8NPY5REGLN1
SCHEMBL21496686 0.81 HDAC11 (0.69) HDAC11HDAC8
SCHEMBL28511639 0.75 HDAC11 (0.58) HDAC11HDAC8EGLN1HCRTR1HCRTR2
SCHEMBL21496790 0.71 HDAC11 (0.47) HDAC11HDAC8NPY5REGLN1HRH4
SCHEMBL30039395 0.70 HDAC11 (0.88) HDAC11HDAC8
SCHEMBL21496844 0.70 HDAC11 (0.88) HDAC11HDAC8
SCHEMBL21496689 0.70 HDAC11 (0.70) HDAC11HDAC8
SCHEMBL21496660 0.70 HDAC11 (0.79) HDAC11HDAC8HCRTR1HCRTR2

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-3784654-A1 ISOINDOLINES AS HDAC INHIBITORS Valo Early Discovery, Inc. (US) 2021-03-03 EP disclosed
WO-2019204550-A1 ISOINDOLINES AS HDAC INHIBITORS FORMA THERAPEUTICS, INC. (US) 2019-10-24 WO disclosed