SCHEMBL20490366

SCHEMBL20490366

CNC(=O)c1ccc(-c2cccc(C(C(=O)NO)c3ccccc3)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 5/20 0.54
HDAC6 Q9UBN7 4/20 0.54
HDAC4 P56524 3/20 0.54
HDAC7 Q8WUI4 2/20 0.54
HDAC5 Q9UQL6 2/20 0.54
HDAC2 Q92769 2/20 0.54
HDAC1 Q13547 2/20 0.54
HDAC3 O15379 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
HDAC9 Q9UKV0 1/20 0.54
RXRA P19793 1/20 0.48
RXRB P28702 1/20 0.48
RXRG P48443 1/20 0.48
ANPEP P15144 1/20 0.47
HPGDS O60760 1/20 0.47
PARP1 P09874 1/20 0.44
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
ROCK2 O75116 1/20 0.43

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
SCHEMBL2870552 0.86 HDAC4 (0.72) HDAC8HDAC6HDAC4HDAC7HDAC5
SCHEMBL20490367 0.84 HDAC4 (0.60) HDAC8HDAC6HDAC4HDAC7HDAC5
SCHEMBL4534099 0.84 HDAC4 (0.53) HDAC8HDAC6HDAC4HDAC7HDAC5
SCHEMBL20490176 0.83 NPC1 (0.63) HDAC8HDAC6HDAC4HDAC7HDAC5
SCHEMBL20490201 0.83 HDAC4 (0.58) HDAC8HDAC6HDAC4HDAC7HDAC5
SCHEMBL20490427 0.81 HDAC4 (0.61) HDAC8HDAC6HDAC4HDAC7HDAC5
SCHEMBL20490608 0.81 HDAC4 (0.63) HDAC8HDAC6HDAC4HDAC7HDAC5
SCHEMBL20490433 0.81 HDAC4 (0.55) HDAC8HDAC6HDAC4HDAC7HDAC5
SCHEMBL20490229 0.81 HDAC4 (0.55) HDAC8HDAC6HDAC4HDAC7HDAC5
SCHEMBL20490508 0.81 HDAC4 (0.55) HDAC8HDAC6HDAC4HDAC7HDAC5

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-2139850-B1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2018-09-12 EP claimed
EP-2139850-B1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2018-09-12 EP disclosed