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SCHEMBL20577362

SCHEMBL20577362

CC(C)[C@@H](C(=O)Nc1ccc(C(=O)Nc2ccc(F)cc2N)nc1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 18/20 1.00
▸ HDAC1 Q13547 16/20 1.00
▸ NCOR2 Q9Y618 14/20 1.00
▸ HDAC2 Q92769 13/20 1.00
▸ HDAC8 Q9BY41 3/20 0.79
▸ HDAC4 P56524 1/20 0.67
▸ HDAC6 Q9UBN7 1/20 0.67
▸ NCOR1 O75376 1/20 0.57

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
SCHEMBL20577365 1.00 HDAC3 (1.00) HDAC3HDAC1NCOR2HDAC2HDAC8
SCHEMBL20577385 0.90 HDAC3 (1.00) HDAC3HDAC1NCOR2HDAC2HDAC8
SCHEMBL20577384 0.90 HDAC3 (1.00) HDAC3HDAC1NCOR2HDAC2HDAC8
SCHEMBL21172552 0.82 HDAC3 (1.00) HDAC3HDAC1NCOR2HDAC2HDAC8
SCHEMBL23992177 0.74 HDAC1 (0.62) HDAC3HDAC1NCOR2HDAC2NCOR1
SCHEMBL32662656 0.73 HDAC1 (0.63) HDAC3HDAC1NCOR2HDAC2NCOR1
SCHEMBL20577366 0.73 HDAC1 (0.79) HDAC3HDAC1NCOR2HDAC2HDAC8
SCHEMBL20577367 0.73 HDAC1 (0.79) HDAC3HDAC1NCOR2HDAC2HDAC8
SCHEMBL675361 0.73 HDAC1 (1.00) HDAC3HDAC1NCOR2HDAC2HDAC8
SCHEMBL30416052 0.72 HDAC1 (0.68) HDAC3HDAC1NCOR2HDAC2HDAC8

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