SCHEMBL20577385

SCHEMBL20577385

CC(C(=O)Nc1ccc(C(=O)Nc2ccc(F)cc2N)nc1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 19/20 1.00
HDAC1 Q13547 17/20 1.00
NCOR2 Q9Y618 16/20 1.00
HDAC2 Q92769 15/20 1.00
HDAC8 Q9BY41 2/20 0.63
NCOR1 O75376 1/20 0.59

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
SCHEMBL20577384 1.00 HDAC3 (1.00) HDAC3HDAC1NCOR2HDAC2HDAC8
SCHEMBL20577365 0.90 HDAC3 (1.00) HDAC3HDAC1NCOR2HDAC2HDAC8
SCHEMBL20577362 0.90 HDAC3 (1.00) HDAC3HDAC1NCOR2HDAC2HDAC8
SCHEMBL23992177 0.76 HDAC1 (0.62) HDAC3HDAC1NCOR2HDAC2NCOR1
SCHEMBL32662656 0.75 HDAC1 (0.63) HDAC3HDAC1NCOR2HDAC2NCOR1
SCHEMBL20577366 0.75 HDAC1 (0.79) HDAC3HDAC1NCOR2HDAC2HDAC8
SCHEMBL20577367 0.75 HDAC1 (0.79) HDAC3HDAC1NCOR2HDAC2HDAC8
SCHEMBL23745937 0.74 HDAC3 (0.60) HDAC3HDAC1NCOR2HDAC2HDAC8
SCHEMBL30416052 0.73 HDAC1 (0.68) HDAC3HDAC1NCOR2HDAC2HDAC8
SCHEMBL32662752 0.72 HDAC1 (0.59) HDAC3HDAC1NCOR2HDAC2NCOR1

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
WO-2018223122-A1 HDAC3-SELECTIVE INHIBITORS OHIO STATE INNOVATION FOUNDATION (US) 2018-12-06 WO disclosed