SCHEMBL8346271

SCHEMBL8346271

COc1ccc(NCc2ccc(C(=O)Nc3cc(F)c(F)cc3N)cc2)cc1C(C)O

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 19/20 0.61
HDAC2 Q92769 8/20 0.61
HDAC3 O15379 1/20 0.45
NCOR2 Q9Y618 1/20 0.45
KCNQ3 O43525 1/20 0.45
KCNQ2 O43526 1/20 0.45
KCNQ4 P56696 1/20 0.45
KCNQ5 Q9NR82 1/20 0.45

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
SCHEMBL1064299 0.88 HDAC1 (0.77) HDAC1HDAC2HDAC3NCOR2
SCHEMBL8346278 0.86 HDAC1 (0.58) HDAC1HDAC2HDAC3NCOR2
SCHEMBL12933622 0.82 HDAC1 (0.73) HDAC1HDAC2HDAC3NCOR2KCNQ3
SCHEMBL1063281 0.81 HDAC1 (0.72) HDAC1HDAC2HDAC3NCOR2
SCHEMBL211732 0.79 HDAC1 (0.84) HDAC1HDAC2HDAC3NCOR2
SCHEMBL8291906 0.77 HDAC1 (0.60) HDAC1HDAC2
SCHEMBL1066534 0.77 HDAC1 (0.74) HDAC1HDAC2
SCHEMBL1064557 0.76 HDAC1 (1.00) HDAC1HDAC2HDAC3NCOR2
SCHEMBL8293250 0.76 HDAC1 (0.49) HDAC1HDAC2
SCHEMBL1068398 0.76 HDAC1 (0.76) HDAC1HDAC2HDAC3NCOR2

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-2004069823-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2004-08-19 WO disclosed