SCHEMBL21496653

SCHEMBL21496653

CC1(C)c2cccc(C(N)=O)c2CN1c1nc2nc(C(F)(F)F)ccc2o1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC11 Q96DB2 11/20 0.56
HDAC8 Q9BY41 2/20 0.48
GPR52 Q9Y2T5 2/20 0.33
BRS3 P32247 2/20 0.32
PARP1 P09874 3/20 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
SCHEMBL21496707 0.89 HDAC11 (0.71) HDAC11HDAC8
SCHEMBL21496718 0.89 HDAC11 (0.56) HDAC11HDAC8BRS3
SCHEMBL21496710 0.76 HDAC11 (0.54) HDAC11HDAC8
SCHEMBL21496660 0.75 HDAC11 (0.79) HDAC11HDAC8GPR52PARP1
SCHEMBL21496856 0.74 HDAC11 (0.82) HDAC11HDAC8
SCHEMBL23751098 0.73 HDAC11 (0.45) HDAC11HDAC8
SCHEMBL21500631 0.72 HDAC11 (0.73) HDAC11HDAC8
SCHEMBL30038142 0.72 HDAC11 (0.73) HDAC11HDAC8
SCHEMBL21496751 0.72 HDAC11 (1.00) HDAC11HDAC8
SCHEMBL21496702 0.72 HDAC11 (0.81) HDAC11HDAC8

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