SCHEMBL28518018

SCHEMBL28518018

CC1(C)c2cccc(C(=O)O)c2CN1Cc1nc2c(o1)CCC(C(F)(F)F)C2

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC11 Q96DB2 10/20 0.35
HDAC8 Q9BY41 2/20 0.33
TBK1 Q9UHD2 1/20 0.30
GRM5 P41594 1/20 0.30

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
SCHEMBL23751098 0.76 HDAC11 (0.45) HDAC11HDAC8
SCHEMBL28512020 0.75 HDAC11 (0.58) HDAC11HDAC8
SCHEMBL21496850 0.75 HDAC11 (0.46) HDAC11HDAC8
SCHEMBL21496739 0.75 HDAC11 (0.57) HDAC11HDAC8
SCHEMBL30038649 0.75 HDAC11 (0.57) HDAC11HDAC8
SCHEMBL21500458 0.68 HDAC11 (0.57) HDAC11HDAC8
SCHEMBL30040030 0.68 HDAC11 (0.57) HDAC11HDAC8
SCHEMBL28519553 0.68 HDAC11 (0.43) HDAC11HDAC8
SCHEMBL21496684 0.64 HDAC11 (0.37) HDAC11
SCHEMBL28511639 0.64 HDAC11 (0.58) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112292370-A Isoindolines as HDAC inhibitors 瓦洛早期发现股份有限公司 2021-01-29 CN disclosed